1-(4-chloro-2-phenylsulfanylphenyl)-N-methylmethanamine

C14H14ClNS — CID 114863888

IUPAC1-(4-chloro-2-phenylsulfanylphenyl)-N-methylmethanamine
SMILESCNCc1ccc(Cl)cc1Sc1ccccc1
InChIInChI=1S/C14H14ClNS/c1-16-10-11-7-8-12(15)9-14(11)17-13-5-3-2-4-6-13/h2-9,16H,10H2,1H3
InChIKeyCZPMLXKAKWRIFO-UHFFFAOYSA-N
MW263.79 g/mol
LogP4.21
Rot. Bonds4

About 1-(4-chloro-2-phenylsulfanylphenyl)-N-methylmethanamine

1-(4-chloro-2-phenylsulfanylphenyl)-N-methylmethanamine (PubChem CID 114863888) has the molecular formula C14H14ClNS and a molecular weight of 263.79 g/mol. Its IUPAC name is 1-(4-chloro-2-phenylsulfanylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-chloro-2-phenylsulfanylphenyl)-N-methylmethanamine
PubChem CID114863888
Molecular FormulaC14H14ClNS
Molecular Weight263.79 g/mol
Exact Mass263.05
IUPAC Name1-(4-chloro-2-phenylsulfanylphenyl)-N-methylmethanamine
SMILESCNCc1ccc(Cl)cc1Sc1ccccc1
InChIInChI=1S/C14H14ClNS/c1-16-10-11-7-8-12(15)9-14(11)17-13-5-3-2-4-6-13/h2-9,16H,10H2,1H3
InChIKeyCZPMLXKAKWRIFO-UHFFFAOYSA-N
XLogP4.21
TPSA12.03 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 ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-chloro-2-phenylsulfanylphenyl)-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromo-2-phenylsulfanylphenyl)-N-methylmethanamine
CID 63805212
1-[2-(3-chlorophenyl)sulfanylphenyl]-N-methylmethanamine
CID 63808082
1-(2-chloro-4-phenylsulfanylphenyl)-N-methylmethanamine
CID 114064942
1-[4-chloro-2-[(2-methylphenyl)methylsulfanyl]phenyl]-N-methylmethanamine
CID 114864628
1-[4-chloro-2-(1H-indol-2-ylsulfanyl)phenyl]-N-methylmethanamine
CID 114865064
1-(5-fluoro-2-phenylsulfanylphenyl)-N-methylmethanamine
CID 63807135
1-[4-chloro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-N-methylmethanamine
CID 114864146
1-[4-chloro-2-[(4-fluoro-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine
CID 57461258
N-[[4-chloro-2-(4-fluorophenyl)sulfanylphenyl]methyl]ethanamine
CID 114864036
1-(2-bromo-4-phenylsulfanylphenyl)-N-methylmethanamine
CID 114061063
1-[5-chloro-2-(2-methylphenyl)sulfanylphenyl]-N-methylmethanamine
CID 114864440
4-chloro-2-phenylsulfanylbenzenethiol
CID 22351740

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-phenylsulfanylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-chloro-2-phenylsulfanylphenyl)-N-methylmethanamine (CID 114863888) is 1-(4-chloro-2-phenylsulfanylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-chloro-2-phenylsulfanylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-chloro-2-phenylsulfanylphenyl)-N-methylmethanamine is CNCc1ccc(Cl)cc1Sc1ccccc1.
What is the InChIKey of 1-(4-chloro-2-phenylsulfanylphenyl)-N-methylmethanamine?
The InChIKey is CZPMLXKAKWRIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNS/c1-16-10-11-7-8-12(15)9-14(11)17-13-5-3-2-4-6-13/h2-9,16H,10H2,1H3.
What are the key properties of 1-(4-chloro-2-phenylsulfanylphenyl)-N-methylmethanamine?
1-(4-chloro-2-phenylsulfanylphenyl)-N-methylmethanamine has a molecular weight of 263.79 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-phenylsulfanylphenyl)-N-methylmethanamine is sourced from PubChem (CID 114863888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).