2-(4-methoxy-2-methylsulfonylphenyl)propan-2-amine

C11H17NO3S — CID 84802031

IUPAC2-(4-methoxy-2-methylsulfonylphenyl)propan-2-amine
SMILESCOc1ccc(C(C)(C)N)c(S(C)(=O)=O)c1
InChIInChI=1S/C11H17NO3S/c1-11(2,12)9-6-5-8(15-3)7-10(9)16(4,13)14/h5-7H,12H2,1-4H3
InChIKeyPQPQLXSVVLBXHI-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.29
Rot. Bonds3

About 2-(4-methoxy-2-methylsulfonylphenyl)propan-2-amine

2-(4-methoxy-2-methylsulfonylphenyl)propan-2-amine (PubChem CID 84802031) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-(4-methoxy-2-methylsulfonylphenyl)propan-2-amine.

Molecular Properties

Compound Name2-(4-methoxy-2-methylsulfonylphenyl)propan-2-amine
PubChem CID84802031
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name2-(4-methoxy-2-methylsulfonylphenyl)propan-2-amine
SMILESCOc1ccc(C(C)(C)N)c(S(C)(=O)=O)c1
InChIInChI=1S/C11H17NO3S/c1-11(2,12)9-6-5-8(15-3)7-10(9)16(4,13)14/h5-7H,12H2,1-4H3
InChIKeyPQPQLXSVVLBXHI-UHFFFAOYSA-N
XLogP1.29
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-methoxy-2-methylsulfonylphenyl)propan-2-amine 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

4-methoxy-1-methyl-2-methylsulfonylbenzene
CID 20773204
1-fluoro-4-methoxy-2-methylsulfonylbenzene
CID 69311916
2-[4-methoxy-2-(trifluoromethyl)phenyl]propan-2-amine
CID 117337731
2-iodo-4-methoxy-1-methylsulfonylbenzene
CID 122362550
2-amino-2-(4-methoxy-2-methylsulfonylphenyl)acetic acid
CID 84806180
lithium 2-amino-5-methoxybenzenesulfonate
CID 101304006
3-(4-methoxy-2-methylsulfonylphenyl)propanoic acid
CID 84806000
2,4-bis(methylsulfonyl)-1-(2,3,3-trimethylbutan-2-yl)benzene
CID 90395561
N-(2-amino-2-methylpropyl)-2-bromo-5-methoxybenzenesulfonamide;hydrochloride
CID 119988224
6-methoxy-2-methylsulfonylnaphthalene-1-carbaldehyde
CID 141001617
4-methoxy-2-(3-methylsulfonylpropylsulfonyl)aniline
CID 81207138
[4-methoxy-2-(trimethyl-λ4-sulfanyl)phenyl] trifluoromethanesulfonate
CID 134505136

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2-methylsulfonylphenyl)propan-2-amine?
The IUPAC name of 2-(4-methoxy-2-methylsulfonylphenyl)propan-2-amine (CID 84802031) is 2-(4-methoxy-2-methylsulfonylphenyl)propan-2-amine.
What is the SMILES notation for 2-(4-methoxy-2-methylsulfonylphenyl)propan-2-amine?
The canonical SMILES for 2-(4-methoxy-2-methylsulfonylphenyl)propan-2-amine is COc1ccc(C(C)(C)N)c(S(C)(=O)=O)c1.
What is the InChIKey of 2-(4-methoxy-2-methylsulfonylphenyl)propan-2-amine?
The InChIKey is PQPQLXSVVLBXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-11(2,12)9-6-5-8(15-3)7-10(9)16(4,13)14/h5-7H,12H2,1-4H3.
What are the key properties of 2-(4-methoxy-2-methylsulfonylphenyl)propan-2-amine?
2-(4-methoxy-2-methylsulfonylphenyl)propan-2-amine has a molecular weight of 243.33 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2-methylsulfonylphenyl)propan-2-amine is sourced from PubChem (CID 84802031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).