2-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)propan-2-amine

C11H16FNO3S — CID 117407303

IUPAC2-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)propan-2-amine
SMILESCOc1cc(C(C)(C)N)cc(F)c1S(C)(=O)=O
InChIInChI=1S/C11H16FNO3S/c1-11(2,13)7-5-8(12)10(17(4,14)15)9(6-7)16-3/h5-6H,13H2,1-4H3
InChIKeyHRXCZLDSRFTFAP-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.43
Rot. Bonds3

About 2-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)propan-2-amine

2-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)propan-2-amine (PubChem CID 117407303) has the molecular formula C11H16FNO3S and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)propan-2-amine.

Molecular Properties

Compound Name2-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)propan-2-amine
PubChem CID117407303
Molecular FormulaC11H16FNO3S
Molecular Weight261.32 g/mol
Exact Mass261.08
IUPAC Name2-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)propan-2-amine
SMILESCOc1cc(C(C)(C)N)cc(F)c1S(C)(=O)=O
InChIInChI=1S/C11H16FNO3S/c1-11(2,13)7-5-8(12)10(17(4,14)15)9(6-7)16-3/h5-6H,13H2,1-4H3
InChIKeyHRXCZLDSRFTFAP-UHFFFAOYSA-N
XLogP1.43
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

O-[(3-fluoro-5-methoxy-4-methylsulfonylphenyl)methyl]hydroxylamine
CID 117375508
2-(3,5-difluoro-4-methoxyphenyl)propan-2-amine
CID 84776186
3,5-dimethoxy-4-methylsulfonylaniline
CID 84794352
2-(3-fluoro-4-methoxy-5-methylphenyl)propan-2-amine
CID 117287323
1-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)propan-2-ol
CID 117410057
2-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)-2-hydroxyacetic acid
CID 117445755
2-(3,4,5-trifluorophenyl)propan-2-amine;hydrochloride
CID 154857245
2-(2-fluoro-5-methoxy-4-methylphenyl)propan-2-amine
CID 84774491
1-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)-2-(methylamino)ethanone
CID 117439986
4-(2-aminopropan-2-yl)-2-fluorobenzenesulfonamide
CID 146570721
3-(3,5-difluoro-4-methylsulfonylphenyl)-3-methylbutanoic acid
CID 117471936
2-amino-1-(3,5-dimethoxy-4-methylsulfonylphenyl)propan-1-one
CID 84814063

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)propan-2-amine?
The IUPAC name of 2-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)propan-2-amine (CID 117407303) is 2-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)propan-2-amine.
What is the SMILES notation for 2-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)propan-2-amine?
The canonical SMILES for 2-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)propan-2-amine is COc1cc(C(C)(C)N)cc(F)c1S(C)(=O)=O.
What is the InChIKey of 2-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)propan-2-amine?
The InChIKey is HRXCZLDSRFTFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO3S/c1-11(2,13)7-5-8(12)10(17(4,14)15)9(6-7)16-3/h5-6H,13H2,1-4H3.
What are the key properties of 2-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)propan-2-amine?
2-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)propan-2-amine has a molecular weight of 261.32 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)propan-2-amine is sourced from PubChem (CID 117407303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).