(1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine

C17H20ClN — CID 81355634

IUPAC(1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
SMILESCc1ccc([C@H](C)NC(C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H20ClN/c1-12-4-6-15(7-5-12)13(2)19-14(3)16-8-10-17(18)11-9-16/h4-11,13-14,19H,1-3H3/t13-,14?/m0/s1
InChIKeyGUQOHVPOHGBFSD-LSLKUGRBSA-N
MW273.81 g/mol
LogP5.06
Rot. Bonds4

About (1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine

(1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine (PubChem CID 81355634) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is (1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
PubChem CID81355634
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC Name(1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
SMILESCc1ccc([C@H](C)NC(C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H20ClN/c1-12-4-6-15(7-5-12)13(2)19-14(3)16-8-10-17(18)11-9-16/h4-11,13-14,19H,1-3H3/t13-,14?/m0/s1
InChIKeyGUQOHVPOHGBFSD-LSLKUGRBSA-N
XLogP5.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.81
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(4-chlorophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]ethanamine
CID 81352684
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81366687
N-[(1S)-1-(4-bromophenyl)ethyl]-1-(4-chlorophenyl)ethanamine
CID 81359219
(1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81348104
N-[(1R)-1-(4-chlorophenyl)ethyl]but-3-yn-2-amine
CID 104865305
N-[1-(4-chlorophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 43107996
(1S)-1-(4-chlorophenyl)-N-[1-(3,5-difluorophenyl)ethyl]ethanamine
CID 81352116
N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(4-chlorophenyl)ethanamine
CID 43108630
4-[1-[[(1S)-1-(4-chlorophenyl)ethyl]amino]ethyl]benzonitrile
CID 81353264
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 63448794
N-[1-(5-chlorothiophen-3-yl)ethyl]-1-(4-methylphenyl)ethanamine
CID 102976436
1-(4-chlorophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81352929

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine?
The IUPAC name of (1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine (CID 81355634) is (1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for (1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine?
The canonical SMILES for (1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine is Cc1ccc([C@H](C)NC(C)c2ccc(Cl)cc2)cc1.
What is the InChIKey of (1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine?
The InChIKey is GUQOHVPOHGBFSD-LSLKUGRBSA-N. The full InChI is InChI=1S/C17H20ClN/c1-12-4-6-15(7-5-12)13(2)19-14(3)16-8-10-17(18)11-9-16/h4-11,13-14,19H,1-3H3/t13-,14?/m0/s1.
What are the key properties of (1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine?
(1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine has a molecular weight of 273.81 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 81355634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).