N-[1-(4-chlorophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine

C17H20ClNS — CID 43107996

IUPACN-[1-(4-chlorophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine
SMILESCSc1ccc(C(C)NC(C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H20ClNS/c1-12(14-4-8-16(18)9-5-14)19-13(2)15-6-10-17(20-3)11-7-15/h4-13,19H,1-3H3
InChIKeyBJQCYBFCKAYQKT-UHFFFAOYSA-N
MW305.87 g/mol
LogP5.47
Rot. Bonds5

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

N-[1-(4-chlorophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine (PubChem CID 43107996) has the molecular formula C17H20ClNS and a molecular weight of 305.87 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine
PubChem CID43107996
Molecular FormulaC17H20ClNS
Molecular Weight305.87 g/mol
Exact Mass305.10
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine
SMILESCSc1ccc(C(C)NC(C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H20ClNS/c1-12(14-4-8-16(18)9-5-14)19-13(2)15-6-10-17(20-3)11-7-15/h4-13,19H,1-3H3
InChIKeyBJQCYBFCKAYQKT-UHFFFAOYSA-N
XLogP5.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.87
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(4-bromophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 81355164
4-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 43874065
(1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81348104
(1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81355634
N-[2-(4-chlorophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 43103247
(1S)-1-(4-chlorophenyl)-N-[1-(3,5-difluorophenyl)ethyl]ethanamine
CID 81352116
N-[(1S)-1-(4-bromophenyl)ethyl]-1-(4-chlorophenyl)ethanamine
CID 81359219
N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(4-chlorophenyl)ethanamine
CID 43108630
N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 82777077
1-(3-chlorophenyl)-N-[1-(4-methylsulfanylphenyl)ethyl]propan-1-amine
CID 43674027
2-methyl-3-[1-(4-methylsulfanylphenyl)ethylamino]butan-2-ol
CID 65337707
1-(4-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43382000

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine (CID 43107996) is N-[1-(4-chlorophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine is CSc1ccc(C(C)NC(C)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine?
The InChIKey is BJQCYBFCKAYQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNS/c1-12(14-4-8-16(18)9-5-14)19-13(2)15-6-10-17(20-3)11-7-15/h4-13,19H,1-3H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine?
N-[1-(4-chlorophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine has a molecular weight of 305.87 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine is sourced from PubChem (CID 43107996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).