[5-(benzylsulfinylmethyl)-2-methoxyphenyl]methanamine

C16H19NO2S — CID 81329220

IUPAC[5-(benzylsulfinylmethyl)-2-methoxyphenyl]methanamine
SMILESCOc1ccc(CS(=O)Cc2ccccc2)cc1CN
InChIInChI=1S/C16H19NO2S/c1-19-16-8-7-14(9-15(16)10-17)12-20(18)11-13-5-3-2-4-6-13/h2-9H,10-12,17H2,1H3
InChIKeyVMYGPFKYLVFUOW-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.60
Rot. Bonds6

About [5-(benzylsulfinylmethyl)-2-methoxyphenyl]methanamine

[5-(benzylsulfinylmethyl)-2-methoxyphenyl]methanamine (PubChem CID 81329220) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is [5-(benzylsulfinylmethyl)-2-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[5-(benzylsulfinylmethyl)-2-methoxyphenyl]methanamine
PubChem CID81329220
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name[5-(benzylsulfinylmethyl)-2-methoxyphenyl]methanamine
SMILESCOc1ccc(CS(=O)Cc2ccccc2)cc1CN
InChIInChI=1S/C16H19NO2S/c1-19-16-8-7-14(9-15(16)10-17)12-20(18)11-13-5-3-2-4-6-13/h2-9H,10-12,17H2,1H3
InChIKeyVMYGPFKYLVFUOW-UHFFFAOYSA-N
XLogP2.60
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-(benzylsulfinylmethyl)-2-methoxyphenyl]methanamine 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

[2-methoxy-5-(methylsulfinylmethyl)phenyl]methanamine
CID 81332900
1-[3-(benzylsulfinylmethyl)-4-methoxyphenyl]-N-methylmethanamine
CID 64660300
[5-(benzylsulfonylmethyl)-2-methoxyphenyl]methanamine
CID 65343819
[5-[[benzyl(methyl)amino]methyl]-2-methoxyphenyl]methanamine
CID 65340886
1-[[(S)-benzylsulfinyl]methyl]-3-methoxybenzene
CID 94792829
[3-(benzylsulfonylmethyl)-4-methoxyphenyl]methanamine
CID 64646753
[3-(tert-butylsulfinylmethyl)-4-methoxyphenyl]methanamine
CID 64653988
3-[(4-chlorophenyl)methylsulfinylmethyl]-4-methoxyaniline
CID 114790907
[4-methoxy-3-(2-methylsulfonylethylsulfinylmethyl)phenyl]methanamine
CID 64676478
5-[(3,4-dimethoxyphenyl)methylsulfinylmethyl]-1,2,3-trimethoxybenzene
CID 10595940
2-[3-[2-(benzylsulfinylmethyl)-4-methylphenyl]-4-methoxyphenyl]acetic acid
CID 58460080
[2-fluoro-5-[(2-methylphenyl)methylsulfinylmethyl]phenyl]methanamine
CID 107881573

Frequently Asked Questions

What is the IUPAC name of [5-(benzylsulfinylmethyl)-2-methoxyphenyl]methanamine?
The IUPAC name of [5-(benzylsulfinylmethyl)-2-methoxyphenyl]methanamine (CID 81329220) is [5-(benzylsulfinylmethyl)-2-methoxyphenyl]methanamine.
What is the SMILES notation for [5-(benzylsulfinylmethyl)-2-methoxyphenyl]methanamine?
The canonical SMILES for [5-(benzylsulfinylmethyl)-2-methoxyphenyl]methanamine is COc1ccc(CS(=O)Cc2ccccc2)cc1CN.
What is the InChIKey of [5-(benzylsulfinylmethyl)-2-methoxyphenyl]methanamine?
The InChIKey is VMYGPFKYLVFUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-19-16-8-7-14(9-15(16)10-17)12-20(18)11-13-5-3-2-4-6-13/h2-9H,10-12,17H2,1H3.
What are the key properties of [5-(benzylsulfinylmethyl)-2-methoxyphenyl]methanamine?
[5-(benzylsulfinylmethyl)-2-methoxyphenyl]methanamine has a molecular weight of 289.40 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(benzylsulfinylmethyl)-2-methoxyphenyl]methanamine is sourced from PubChem (CID 81329220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).