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

C14H14ClNS — CID 114064942

IUPAC1-(2-chloro-4-phenylsulfanylphenyl)-N-methylmethanamine
SMILESCNCc1ccc(Sc2ccccc2)cc1Cl
InChIInChI=1S/C14H14ClNS/c1-16-10-11-7-8-13(9-14(11)15)17-12-5-3-2-4-6-12/h2-9,16H,10H2,1H3
InChIKeyPAQCTYUIERZRPJ-UHFFFAOYSA-N
MW263.79 g/mol
LogP4.21
Rot. Bonds4

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

1-(2-chloro-4-phenylsulfanylphenyl)-N-methylmethanamine (PubChem CID 114064942) has the molecular formula C14H14ClNS and a molecular weight of 263.79 g/mol. Its IUPAC name is 1-(2-chloro-4-phenylsulfanylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-chloro-4-phenylsulfanylphenyl)-N-methylmethanamine
PubChem CID114064942
Molecular FormulaC14H14ClNS
Molecular Weight263.79 g/mol
Exact Mass263.05
IUPAC Name1-(2-chloro-4-phenylsulfanylphenyl)-N-methylmethanamine
SMILESCNCc1ccc(Sc2ccccc2)cc1Cl
InChIInChI=1S/C14H14ClNS/c1-16-10-11-7-8-13(9-14(11)15)17-12-5-3-2-4-6-12/h2-9,16H,10H2,1H3
InChIKeyPAQCTYUIERZRPJ-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

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Related Compounds

1-(2-bromo-4-phenylsulfanylphenyl)-N-methylmethanamine
CID 114061063
1-(4-chloro-2-phenylsulfanylphenyl)-N-methylmethanamine
CID 114863888
1-[2-chloro-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]-N-methylmethanamine
CID 114065001
1-(4-bromo-2-phenylsulfanylphenyl)-N-methylmethanamine
CID 63805212
1-(2,4-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839755
1-[2-(3-chlorophenyl)sulfanylphenyl]-N-methylmethanamine
CID 63808082
1-[2-bromo-4-(3-fluorophenyl)sulfanylphenyl]-N-methylmethanamine
CID 114061115
1-(5-fluoro-2-phenylsulfanylphenyl)-N-methylmethanamine
CID 63807135
N-[(2-bromo-4-phenylsulfanylphenyl)methyl]ethanamine
CID 114061062
2-chloro-4-(3-ethylphenyl)sulfanyl-1-(iodomethyl)benzene
CID 142698842
N-methyl-1-(2-phenylsulfanylquinolin-3-yl)methanamine
CID 63807134
1-[2-chloro-4-(1-fluoroethyl)phenyl]-N-methylmethanamine
CID 84670375

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-phenylsulfanylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-chloro-4-phenylsulfanylphenyl)-N-methylmethanamine (CID 114064942) is 1-(2-chloro-4-phenylsulfanylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-chloro-4-phenylsulfanylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-chloro-4-phenylsulfanylphenyl)-N-methylmethanamine is CNCc1ccc(Sc2ccccc2)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-phenylsulfanylphenyl)-N-methylmethanamine?
The InChIKey is PAQCTYUIERZRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNS/c1-16-10-11-7-8-13(9-14(11)15)17-12-5-3-2-4-6-12/h2-9,16H,10H2,1H3.
What are the key properties of 1-(2-chloro-4-phenylsulfanylphenyl)-N-methylmethanamine?
1-(2-chloro-4-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-(2-chloro-4-phenylsulfanylphenyl)-N-methylmethanamine is sourced from PubChem (CID 114064942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).