[2-methoxy-4-(methylsulfonylmethyl)phenyl]methanamine

C10H15NO3S — CID 106794463

IUPAC[2-methoxy-4-(methylsulfonylmethyl)phenyl]methanamine
SMILESCOc1cc(CS(C)(=O)=O)ccc1CN
InChIInChI=1S/C10H15NO3S/c1-14-10-5-8(7-15(2,12)13)3-4-9(10)6-11/h3-5H,6-7,11H2,1-2H3
InChIKeyLJJFDOZXBLDSQQ-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.70
Rot. Bonds4

About [2-methoxy-4-(methylsulfonylmethyl)phenyl]methanamine

[2-methoxy-4-(methylsulfonylmethyl)phenyl]methanamine (PubChem CID 106794463) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is [2-methoxy-4-(methylsulfonylmethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-methoxy-4-(methylsulfonylmethyl)phenyl]methanamine
PubChem CID106794463
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Name[2-methoxy-4-(methylsulfonylmethyl)phenyl]methanamine
SMILESCOc1cc(CS(C)(=O)=O)ccc1CN
InChIInChI=1S/C10H15NO3S/c1-14-10-5-8(7-15(2,12)13)3-4-9(10)6-11/h3-5H,6-7,11H2,1-2H3
InChIKeyLJJFDOZXBLDSQQ-UHFFFAOYSA-N
XLogP0.70
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[4-(aminomethyl)-3-methoxyphenyl]methylsulfonyl]acetate
CID 106794457
N-[4-(aminomethyl)-3-methoxyphenyl]methanesulfonamide
CID 21097532
[4-methoxy-3-(2-methylsulfonylethylsulfinylmethyl)phenyl]methanamine
CID 64676478
2-methoxy-5-(methylsulfonylmethyl)benzoic acid
CID 18464653
2-[[4-(aminomethyl)-3-methoxyphenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide
CID 106785478
[5-(benzylsulfonylmethyl)-2-methoxyphenyl]methanamine
CID 65343819
2-[4-(aminomethyl)-2-methoxyphenyl]acetaldehyde
CID 174050388
[2-methoxy-5-[(4-methylphenyl)sulfonylmethyl]phenyl]methanamine
CID 65343771
[2-methoxy-4-(2-methylpropoxymethyl)phenyl]methanamine
CID 106786198
N-[(3,4-dimethoxyphenyl)methyl]-1-[4-(methylsulfonylmethyl)phenyl]methanamine
CID 51086176
(4-iodo-2-methoxyphenyl)methanamine
CID 91883504
1,2-dimethyl-4-(methylsulfonylmethyl)benzene
CID 89331302

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-(methylsulfonylmethyl)phenyl]methanamine?
The IUPAC name of [2-methoxy-4-(methylsulfonylmethyl)phenyl]methanamine (CID 106794463) is [2-methoxy-4-(methylsulfonylmethyl)phenyl]methanamine.
What is the SMILES notation for [2-methoxy-4-(methylsulfonylmethyl)phenyl]methanamine?
The canonical SMILES for [2-methoxy-4-(methylsulfonylmethyl)phenyl]methanamine is COc1cc(CS(C)(=O)=O)ccc1CN.
What is the InChIKey of [2-methoxy-4-(methylsulfonylmethyl)phenyl]methanamine?
The InChIKey is LJJFDOZXBLDSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-14-10-5-8(7-15(2,12)13)3-4-9(10)6-11/h3-5H,6-7,11H2,1-2H3.
What are the key properties of [2-methoxy-4-(methylsulfonylmethyl)phenyl]methanamine?
[2-methoxy-4-(methylsulfonylmethyl)phenyl]methanamine has a molecular weight of 229.30 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-(methylsulfonylmethyl)phenyl]methanamine is sourced from PubChem (CID 106794463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).