[2-methoxy-5-(methylsulfinylmethyl)phenyl]methanamine

C10H15NO2S — CID 81332900

IUPAC[2-methoxy-5-(methylsulfinylmethyl)phenyl]methanamine
SMILESCOc1ccc(CS(C)=O)cc1CN
InChIInChI=1S/C10H15NO2S/c1-13-10-4-3-8(7-14(2)12)5-9(10)6-11/h3-5H,6-7,11H2,1-2H3
InChIKeyLYEQFTUTIZQKOB-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.03
Rot. Bonds4

About [2-methoxy-5-(methylsulfinylmethyl)phenyl]methanamine

[2-methoxy-5-(methylsulfinylmethyl)phenyl]methanamine (PubChem CID 81332900) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is [2-methoxy-5-(methylsulfinylmethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-methoxy-5-(methylsulfinylmethyl)phenyl]methanamine
PubChem CID81332900
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name[2-methoxy-5-(methylsulfinylmethyl)phenyl]methanamine
SMILESCOc1ccc(CS(C)=O)cc1CN
InChIInChI=1S/C10H15NO2S/c1-13-10-4-3-8(7-14(2)12)5-9(10)6-11/h3-5H,6-7,11H2,1-2H3
InChIKeyLYEQFTUTIZQKOB-UHFFFAOYSA-N
XLogP1.03
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(benzylsulfinylmethyl)-2-methoxyphenyl]methanamine
CID 81329220
2-chloro-1-methoxy-4-(methylsulfinylmethyl)benzene
CID 130611614
[3-(tert-butylsulfinylmethyl)-4-methoxyphenyl]methanamine
CID 64653988
[2-methoxy-5-(pentafluoro-λ6-sulfanyl)phenyl]methanamine
CID 66523622
[3-[(dimethylamino)methyl]-4-methoxyphenyl]methanamine;hydrochloride
CID 156589399
[4-methoxy-3-(2-methylsulfonylethylsulfinylmethyl)phenyl]methanamine
CID 64676478
[5-(benzylsulfonylmethyl)-2-methoxyphenyl]methanamine
CID 65343819
(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
[2-methoxy-5-[(4-methylphenyl)sulfonylmethyl]phenyl]methanamine
CID 65343771
CID 89164345
CID 89164345
[3-[(2,4-dimethylphenyl)sulfinylmethyl]-4-methoxyphenyl]methanamine
CID 64659288
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-methylpentan-1-amine
CID 65340742

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-5-(methylsulfinylmethyl)phenyl]methanamine?
The IUPAC name of [2-methoxy-5-(methylsulfinylmethyl)phenyl]methanamine (CID 81332900) is [2-methoxy-5-(methylsulfinylmethyl)phenyl]methanamine.
What is the SMILES notation for [2-methoxy-5-(methylsulfinylmethyl)phenyl]methanamine?
The canonical SMILES for [2-methoxy-5-(methylsulfinylmethyl)phenyl]methanamine is COc1ccc(CS(C)=O)cc1CN.
What is the InChIKey of [2-methoxy-5-(methylsulfinylmethyl)phenyl]methanamine?
The InChIKey is LYEQFTUTIZQKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-13-10-4-3-8(7-14(2)12)5-9(10)6-11/h3-5H,6-7,11H2,1-2H3.
What are the key properties of [2-methoxy-5-(methylsulfinylmethyl)phenyl]methanamine?
[2-methoxy-5-(methylsulfinylmethyl)phenyl]methanamine has a molecular weight of 213.30 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-5-(methylsulfinylmethyl)phenyl]methanamine is sourced from PubChem (CID 81332900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).