N-[(2-chlorophenyl)methyl]-1-[4-(methylsulfonylmethyl)phenyl]methanamine

C16H18ClNO2S — CID 47052625

IUPACN-[(2-chlorophenyl)methyl]-1-[4-(methylsulfonylmethyl)phenyl]methanamine
SMILESCS(=O)(=O)Cc1ccc(CNCc2ccccc2Cl)cc1
InChIInChI=1S/C16H18ClNO2S/c1-21(19,20)12-14-8-6-13(7-9-14)10-18-11-15-4-2-3-5-16(15)17/h2-9,18H,10-12H2,1H3
InChIKeyBZEMCEXSJQVMDB-UHFFFAOYSA-N
MW323.85 g/mol
LogP3.17
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-1-[4-(methylsulfonylmethyl)phenyl]methanamine

N-[(2-chlorophenyl)methyl]-1-[4-(methylsulfonylmethyl)phenyl]methanamine (PubChem CID 47052625) has the molecular formula C16H18ClNO2S and a molecular weight of 323.85 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-[4-(methylsulfonylmethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-[4-(methylsulfonylmethyl)phenyl]methanamine
PubChem CID47052625
Molecular FormulaC16H18ClNO2S
Molecular Weight323.85 g/mol
Exact Mass323.07
IUPAC NameN-[(2-chlorophenyl)methyl]-1-[4-(methylsulfonylmethyl)phenyl]methanamine
SMILESCS(=O)(=O)Cc1ccc(CNCc2ccccc2Cl)cc1
InChIInChI=1S/C16H18ClNO2S/c1-21(19,20)12-14-8-6-13(7-9-14)10-18-11-15-4-2-3-5-16(15)17/h2-9,18H,10-12H2,1H3
InChIKeyBZEMCEXSJQVMDB-UHFFFAOYSA-N
XLogP3.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methylphenyl)methyl]-1-[4-(methylsulfonylmethyl)phenyl]methanamine
CID 47052632
2-(2-chlorophenyl)-N-[[4-(methylsulfonylmethyl)phenyl]methyl]acetamide
CID 47063616
1-[2-(2-chlorophenyl)ethyl]-2-methyl-3-[[4-(methylsulfonylmethyl)phenyl]methyl]guanidine
CID 111882479
N-[(2-chlorophenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 6459303
N-[(2-chlorophenyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine
CID 66400598
N-[(2-chlorophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)methanamine
CID 27656588
N-[(2-chlorophenyl)methyl]-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine
CID 29053761
3-chloro-2-[[4-(methylsulfonylmethyl)phenyl]methylamino]benzonitrile
CID 133319619
N-[(2-chlorophenyl)methyl]-1-(4-methyl-3-nitrophenyl)methanamine
CID 43222892
N-[(2-chlorophenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 43226678
N-[(3,4-dimethoxyphenyl)methyl]-1-[4-(methylsulfonylmethyl)phenyl]methanamine
CID 51086176
1-(4-ethylphenyl)-N-[(2-ethylphenyl)methyl]methanamine
CID 64680912

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-[4-(methylsulfonylmethyl)phenyl]methanamine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-[4-(methylsulfonylmethyl)phenyl]methanamine (CID 47052625) is N-[(2-chlorophenyl)methyl]-1-[4-(methylsulfonylmethyl)phenyl]methanamine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-[4-(methylsulfonylmethyl)phenyl]methanamine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-[4-(methylsulfonylmethyl)phenyl]methanamine is CS(=O)(=O)Cc1ccc(CNCc2ccccc2Cl)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-[4-(methylsulfonylmethyl)phenyl]methanamine?
The InChIKey is BZEMCEXSJQVMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2S/c1-21(19,20)12-14-8-6-13(7-9-14)10-18-11-15-4-2-3-5-16(15)17/h2-9,18H,10-12H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-1-[4-(methylsulfonylmethyl)phenyl]methanamine?
N-[(2-chlorophenyl)methyl]-1-[4-(methylsulfonylmethyl)phenyl]methanamine has a molecular weight of 323.85 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-[4-(methylsulfonylmethyl)phenyl]methanamine is sourced from PubChem (CID 47052625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).