[3-[(2,4-dimethylphenyl)sulfinylmethyl]-4-methoxyphenyl]methanamine

C17H21NO2S — CID 64659288

IUPAC[3-[(2,4-dimethylphenyl)sulfinylmethyl]-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)cc1CS(=O)c1ccc(C)cc1C
InChIInChI=1S/C17H21NO2S/c1-12-4-7-17(13(2)8-12)21(19)11-15-9-14(10-18)5-6-16(15)20-3/h4-9H,10-11,18H2,1-3H3
InChIKeyNHNWUFRQAMPZGC-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.08
Rot. Bonds5

About [3-[(2,4-dimethylphenyl)sulfinylmethyl]-4-methoxyphenyl]methanamine

[3-[(2,4-dimethylphenyl)sulfinylmethyl]-4-methoxyphenyl]methanamine (PubChem CID 64659288) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is [3-[(2,4-dimethylphenyl)sulfinylmethyl]-4-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[3-[(2,4-dimethylphenyl)sulfinylmethyl]-4-methoxyphenyl]methanamine
PubChem CID64659288
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC Name[3-[(2,4-dimethylphenyl)sulfinylmethyl]-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)cc1CS(=O)c1ccc(C)cc1C
InChIInChI=1S/C17H21NO2S/c1-12-4-7-17(13(2)8-12)21(19)11-15-9-14(10-18)5-6-16(15)20-3/h4-9H,10-11,18H2,1-3H3
InChIKeyNHNWUFRQAMPZGC-UHFFFAOYSA-N
XLogP3.08
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methoxy-5-methylphenyl)methylsulfinyl]-5-methylaniline
CID 81181331
[3-[(2,5-difluorophenyl)sulfinylmethyl]-4-methoxyphenyl]methanamine
CID 64653492
[3-(tert-butylsulfinylmethyl)-4-methoxyphenyl]methanamine
CID 64653988
[3-chloro-4-[(2,5-dimethylphenyl)sulfinylmethyl]phenyl]methanamine
CID 102670623
4-fluoro-2-[(2-methoxy-5-methylphenyl)methylsulfinyl]aniline
CID 81182817
[4-methoxy-3-(2-methylsulfonylethylsulfinylmethyl)phenyl]methanamine
CID 64676478
[2-methoxy-5-(methylsulfinylmethyl)phenyl]methanamine
CID 81332900
[3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]methanamine
CID 62671085
[3-[(dimethylamino)methyl]-4-methoxyphenyl]methanamine;hydrochloride
CID 156589399
4-methoxy-3-[(4-methylphenyl)sulfinylmethyl]aniline
CID 61302400
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N,4-dimethylaniline
CID 62018742
2-[4-(aminomethyl)-2-methoxyphenyl]acetaldehyde
CID 174050388

Frequently Asked Questions

What is the IUPAC name of [3-[(2,4-dimethylphenyl)sulfinylmethyl]-4-methoxyphenyl]methanamine?
The IUPAC name of [3-[(2,4-dimethylphenyl)sulfinylmethyl]-4-methoxyphenyl]methanamine (CID 64659288) is [3-[(2,4-dimethylphenyl)sulfinylmethyl]-4-methoxyphenyl]methanamine.
What is the SMILES notation for [3-[(2,4-dimethylphenyl)sulfinylmethyl]-4-methoxyphenyl]methanamine?
The canonical SMILES for [3-[(2,4-dimethylphenyl)sulfinylmethyl]-4-methoxyphenyl]methanamine is COc1ccc(CN)cc1CS(=O)c1ccc(C)cc1C.
What is the InChIKey of [3-[(2,4-dimethylphenyl)sulfinylmethyl]-4-methoxyphenyl]methanamine?
The InChIKey is NHNWUFRQAMPZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-12-4-7-17(13(2)8-12)21(19)11-15-9-14(10-18)5-6-16(15)20-3/h4-9H,10-11,18H2,1-3H3.
What are the key properties of [3-[(2,4-dimethylphenyl)sulfinylmethyl]-4-methoxyphenyl]methanamine?
[3-[(2,4-dimethylphenyl)sulfinylmethyl]-4-methoxyphenyl]methanamine has a molecular weight of 303.43 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,4-dimethylphenyl)sulfinylmethyl]-4-methoxyphenyl]methanamine is sourced from PubChem (CID 64659288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).