2-(3-methoxy-2-methylsulfonylphenyl)ethanamine

C10H15NO3S — CID 117330971

IUPAC2-(3-methoxy-2-methylsulfonylphenyl)ethanamine
SMILESCOc1cccc(CCN)c1S(C)(=O)=O
InChIInChI=1S/C10H15NO3S/c1-14-9-5-3-4-8(6-7-11)10(9)15(2,12)13/h3-5H,6-7,11H2,1-2H3
InChIKeyRLFDMSHFKQRDQS-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.60
Rot. Bonds4

About 2-(3-methoxy-2-methylsulfonylphenyl)ethanamine

2-(3-methoxy-2-methylsulfonylphenyl)ethanamine (PubChem CID 117330971) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is 2-(3-methoxy-2-methylsulfonylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-methoxy-2-methylsulfonylphenyl)ethanamine
PubChem CID117330971
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Name2-(3-methoxy-2-methylsulfonylphenyl)ethanamine
SMILESCOc1cccc(CCN)c1S(C)(=O)=O
InChIInChI=1S/C10H15NO3S/c1-14-9-5-3-4-8(6-7-11)10(9)15(2,12)13/h3-5H,6-7,11H2,1-2H3
InChIKeyRLFDMSHFKQRDQS-UHFFFAOYSA-N
XLogP0.60
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 ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methoxy-2-methylsulfonylphenyl)methanesulfonyl chloride
CID 117481130
2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 12626553
2-(2-bromo-3-methoxyphenyl)ethanamine
CID 83711367
(3,6-dimethoxy-2-methylsulfonylphenyl)methanamine
CID 117365219
2-[(3-methoxy-2-methylsulfonylphenyl)methyl]piperidine
CID 117455721
1-[2-(2-aminoethyl)-6-methoxyphenyl]-2,2,2-trifluoroethanone
CID 140595900
2-(2-methylsulfonylphenyl)ethanamine;hydrochloride
CID 86222883
O-[2-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)ethyl]hydroxylamine
CID 117412248
2-[2-[(2-methoxyphenoxy)methyl]phenyl]ethanamine
CID 115464876
2-[2-(2,3-dimethoxyphenyl)phenyl]ethanamine;hydrochloride
CID 69173807
2-[3-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine
CID 54935375
2-[3-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine
CID 104648792

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-2-methylsulfonylphenyl)ethanamine?
The IUPAC name of 2-(3-methoxy-2-methylsulfonylphenyl)ethanamine (CID 117330971) is 2-(3-methoxy-2-methylsulfonylphenyl)ethanamine.
What is the SMILES notation for 2-(3-methoxy-2-methylsulfonylphenyl)ethanamine?
The canonical SMILES for 2-(3-methoxy-2-methylsulfonylphenyl)ethanamine is COc1cccc(CCN)c1S(C)(=O)=O.
What is the InChIKey of 2-(3-methoxy-2-methylsulfonylphenyl)ethanamine?
The InChIKey is RLFDMSHFKQRDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-14-9-5-3-4-8(6-7-11)10(9)15(2,12)13/h3-5H,6-7,11H2,1-2H3.
What are the key properties of 2-(3-methoxy-2-methylsulfonylphenyl)ethanamine?
2-(3-methoxy-2-methylsulfonylphenyl)ethanamine has a molecular weight of 229.30 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-2-methylsulfonylphenyl)ethanamine is sourced from PubChem (CID 117330971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).