Chem 2 Ethylhexyloxypropylamine

Compound 87
  CheckMol                        TMF02:r0:m0
MF=C11H25NO MW=187.32
 13 12  0  0  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3097    0.7552   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2861    0.7552   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6194    0.0118   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5722    0.0118   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9292    0.7670   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6312   -1.4749   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8584    0.7670   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2389    0.0236   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9410   -2.2183   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1445    0.0236   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5486    0.7788   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8583    0.0354   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END

2-Ethylhexyloxypropylamine

₹ 0.00 0.00

Chemical Name - 2-Ethylhexyloxypropylamine
Mol Weight - 187.325
Smiles - CCCCC(CC)COCCCN

Property Name	Property Value
Mol Name	2-Ethylhexyloxypropylamine
Molweight	187.325
Monoisotopic Mass	187.193614
Clogp	2.5049
Clogs	-2.254
H Acceptors	2
H Donors	1
Total Surface Area	179.12
Relative Psa	0.14108
Polar Surface Area	35.25
Druglikeness	-9.6184
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	low
Shape Index	0.84615
Molecular Flexibility	0.72792
Molecular Complexity	0.41415
Fragments	1
Non H Atoms	13
Non Ch Atoms	2
Electronegative Atoms	2
Stereo Centers	1
Rotatable Bonds	9
Sp3 Atoms	13
Amines	1
Alkyl Amines	1
Basic Nitrogens	1
Smiles	CCCCC(CC)COCCCN
InChIKey	InChI=1S/C11H25NO/c1-3-5-7-11(4-2)10-13-9-6-8-12/h11H,3-10,12H2,1-2H3
InChI	DVFGEIYOLIFSRX-UHFFFAOYSA-N

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1 - 2-Ethylhexyloxypropylamine
2 - 2-Ethylhexyloxypropylamine

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2-Ethylhexyloxypropylamine