[4-[(3-chlorophenyl)methylsulfanyl]phenyl]methanamine

C14H14ClNS — CID 113384743

IUPAC[4-[(3-chlorophenyl)methylsulfanyl]phenyl]methanamine
SMILESNCc1ccc(SCc2cccc(Cl)c2)cc1
InChIInChI=1S/C14H14ClNS/c15-13-3-1-2-12(8-13)10-17-14-6-4-11(9-16)5-7-14/h1-8H,9-10,16H2
InChIKeyOUPSQYPCPNUIMW-UHFFFAOYSA-N
MW263.79 g/mol
LogP4.09
Rot. Bonds4

About [4-[(3-chlorophenyl)methylsulfanyl]phenyl]methanamine

[4-[(3-chlorophenyl)methylsulfanyl]phenyl]methanamine (PubChem CID 113384743) has the molecular formula C14H14ClNS and a molecular weight of 263.79 g/mol. Its IUPAC name is [4-[(3-chlorophenyl)methylsulfanyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[(3-chlorophenyl)methylsulfanyl]phenyl]methanamine
PubChem CID113384743
Molecular FormulaC14H14ClNS
Molecular Weight263.79 g/mol
Exact Mass263.05
IUPAC Name[4-[(3-chlorophenyl)methylsulfanyl]phenyl]methanamine
SMILESNCc1ccc(SCc2cccc(Cl)c2)cc1
InChIInChI=1S/C14H14ClNS/c15-13-3-1-2-12(8-13)10-17-14-6-4-11(9-16)5-7-14/h1-8H,9-10,16H2
InChIKeyOUPSQYPCPNUIMW-UHFFFAOYSA-N
XLogP4.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.79
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-3-[(4-fluorophenyl)sulfanylmethyl]benzene
CID 91655656
[4-[(4-chloro-2-fluorophenyl)methylsulfanyl]phenyl]methanamine
CID 114859715
magnesium;(3-chlorophenyl)methanamine;hydride
CID 174518906
[4-[(3-bromo-4-fluorophenyl)methylsulfanyl]phenyl]methanamine
CID 113384694
1-chloro-3-[[(3-chlorophenyl)methyldisulfanyl]methyl]benzene
CID 45377271
1-bromo-3-[(4-chlorophenyl)sulfanylmethyl]benzene
CID 60625566
[4-[(3-chlorophenyl)sulfanylmethyl]-3-fluorophenyl]methanamine
CID 62645603
[4-[(4-methylphenyl)sulfanylmethyl]phenyl]methanamine
CID 43530260
2-[(3-chlorophenyl)methylsulfanyl]ethanamine;hydrochloride
CID 18526229
[3-[(3,4-dimethylphenyl)methylsulfanyl]phenyl]methanamine
CID 66353892
(4-ethylsulfanylphenyl)methanamine
CID 12842467
[5-[(4-chlorophenyl)sulfanylmethyl]-2-methoxyphenyl]methanamine
CID 65338654

Frequently Asked Questions

What is the IUPAC name of [4-[(3-chlorophenyl)methylsulfanyl]phenyl]methanamine?
The IUPAC name of [4-[(3-chlorophenyl)methylsulfanyl]phenyl]methanamine (CID 113384743) is [4-[(3-chlorophenyl)methylsulfanyl]phenyl]methanamine.
What is the SMILES notation for [4-[(3-chlorophenyl)methylsulfanyl]phenyl]methanamine?
The canonical SMILES for [4-[(3-chlorophenyl)methylsulfanyl]phenyl]methanamine is NCc1ccc(SCc2cccc(Cl)c2)cc1.
What is the InChIKey of [4-[(3-chlorophenyl)methylsulfanyl]phenyl]methanamine?
The InChIKey is OUPSQYPCPNUIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNS/c15-13-3-1-2-12(8-13)10-17-14-6-4-11(9-16)5-7-14/h1-8H,9-10,16H2.
What are the key properties of [4-[(3-chlorophenyl)methylsulfanyl]phenyl]methanamine?
[4-[(3-chlorophenyl)methylsulfanyl]phenyl]methanamine has a molecular weight of 263.79 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-chlorophenyl)methylsulfanyl]phenyl]methanamine is sourced from PubChem (CID 113384743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).