(3S)-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(4-methoxyphenyl)-4-methylpentan-1-amine

Formula:C21H28NOCl Mutagenic:none Tumorigenic:none Reproductive Effective:none (3S)-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(4-methoxyphenyl)-4-methylpentan-1-amine is not a drug-like molecule.

MolName	(3S)-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(4-methoxyphenyl)-4-methylpentan-1-amine
MolecularFormula	C21H28NOCl
Smiles	CC(C)[C@H](CCN[C@@H](C)c(cc1)ccc1Cl)c(cc1)ccc1OC
InChI	InChI=1S/C21H28ClNO/c1-15(2)21(18-7-11-20(24-4)12-8-18)13-14-23-16(3)17-5-9-19(22)10-6-17/h5-12,15-16,21,23H,13-14H2,1-4H3/t16-,21-/m0/s1
InChIK	CAHWGTXKPSGYFT-KKSFZXQISA-N
TotalMolweight	345.912
Molweight	345.912
MonoisotopicMass	345.185941
CLogP	5.2415
CLogS	-4.82
H Acceptors	2
H Donors	1
TotalSurfaceArea	283.96
Relative PSA	0.075574
PolarSurfaceArea	21.26
Druglikeness	1.4262
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	24
NonCHAtoms	3
Electronegative Atoms	3
StereoCenters	2
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	11
Symmetricatoms	5
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon	this enantiomer

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