[4-[(3-methoxyphenyl)sulfinylmethyl]-3-methylphenyl]methanamine

C16H19NO2S — CID 114486186

IUPAC[4-[(3-methoxyphenyl)sulfinylmethyl]-3-methylphenyl]methanamine
SMILESCOc1cccc(S(=O)Cc2ccc(CN)cc2C)c1
InChIInChI=1S/C16H19NO2S/c1-12-8-13(10-17)6-7-14(12)11-20(18)16-5-3-4-15(9-16)19-2/h3-9H,10-11,17H2,1-2H3
InChIKeyUYQJEMWOYBKCTP-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.77
Rot. Bonds5

About [4-[(3-methoxyphenyl)sulfinylmethyl]-3-methylphenyl]methanamine

[4-[(3-methoxyphenyl)sulfinylmethyl]-3-methylphenyl]methanamine (PubChem CID 114486186) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is [4-[(3-methoxyphenyl)sulfinylmethyl]-3-methylphenyl]methanamine.

Molecular Properties

Compound Name[4-[(3-methoxyphenyl)sulfinylmethyl]-3-methylphenyl]methanamine
PubChem CID114486186
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name[4-[(3-methoxyphenyl)sulfinylmethyl]-3-methylphenyl]methanamine
SMILESCOc1cccc(S(=O)Cc2ccc(CN)cc2C)c1
InChIInChI=1S/C16H19NO2S/c1-12-8-13(10-17)6-7-14(12)11-20(18)16-5-3-4-15(9-16)19-2/h3-9H,10-11,17H2,1-2H3
InChIKeyUYQJEMWOYBKCTP-UHFFFAOYSA-N
XLogP2.77
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[(3-methoxyphenyl)sulfinylmethyl]-3-methylphenyl]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

[3-fluoro-4-[(3-methoxyphenyl)sulfinylmethyl]phenyl]methanamine
CID 81328422
3-bromo-4-[(3-methoxyphenyl)sulfinylmethyl]aniline
CID 61303008
4-[(3-methoxyphenyl)sulfinylmethyl]-5-methylthiophene-2-carboxylic acid
CID 80727831
3-[(4-methoxyphenyl)methylsulfinyl]aniline
CID 81181267
[4-[(3,4-dimethylphenyl)sulfinylmethyl]-3-fluorophenyl]methanamine
CID 81328710
1-(3-methoxyphenyl)sulfinylbutan-2-one
CID 64640851
4-fluoro-2-[(3-methoxyphenyl)sulfinylmethyl]benzonitrile
CID 107909363
5-[(3-methoxyphenyl)sulfinylmethyl]-3-methylfuran-2-carboxylic acid
CID 61301771
[4-(methoxymethyl)-3-methylphenyl]methanamine
CID 88997132
3-(3-methoxyphenyl)sulfinyl-N-methylpropan-1-amine
CID 64659138
[3-[(2,4-dimethylphenyl)sulfinylmethyl]-4-methoxyphenyl]methanamine
CID 64659288
3-[2-(3-methoxyphenyl)sulfinylethoxy]aniline
CID 61302237

Frequently Asked Questions

What is the IUPAC name of [4-[(3-methoxyphenyl)sulfinylmethyl]-3-methylphenyl]methanamine?
The IUPAC name of [4-[(3-methoxyphenyl)sulfinylmethyl]-3-methylphenyl]methanamine (CID 114486186) is [4-[(3-methoxyphenyl)sulfinylmethyl]-3-methylphenyl]methanamine.
What is the SMILES notation for [4-[(3-methoxyphenyl)sulfinylmethyl]-3-methylphenyl]methanamine?
The canonical SMILES for [4-[(3-methoxyphenyl)sulfinylmethyl]-3-methylphenyl]methanamine is COc1cccc(S(=O)Cc2ccc(CN)cc2C)c1.
What is the InChIKey of [4-[(3-methoxyphenyl)sulfinylmethyl]-3-methylphenyl]methanamine?
The InChIKey is UYQJEMWOYBKCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-12-8-13(10-17)6-7-14(12)11-20(18)16-5-3-4-15(9-16)19-2/h3-9H,10-11,17H2,1-2H3.
What are the key properties of [4-[(3-methoxyphenyl)sulfinylmethyl]-3-methylphenyl]methanamine?
[4-[(3-methoxyphenyl)sulfinylmethyl]-3-methylphenyl]methanamine has a molecular weight of 289.40 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-methoxyphenyl)sulfinylmethyl]-3-methylphenyl]methanamine is sourced from PubChem (CID 114486186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).