2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)ethanamine

C10H14FNO3S — CID 117370209

IUPAC2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)ethanamine
SMILESCOc1c(CCN)ccc(S(C)(=O)=O)c1F
InChIInChI=1S/C10H14FNO3S/c1-15-10-7(5-6-12)3-4-8(9(10)11)16(2,13)14/h3-4H,5-6,12H2,1-2H3
InChIKeyYNOJHHQQKDPTAA-UHFFFAOYSA-N
MW247.29 g/mol
LogP0.74
Rot. Bonds4

About 2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)ethanamine

2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)ethanamine (PubChem CID 117370209) has the molecular formula C10H14FNO3S and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)ethanamine
PubChem CID117370209
Molecular FormulaC10H14FNO3S
Molecular Weight247.29 g/mol
Exact Mass247.07
IUPAC Name2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)ethanamine
SMILESCOc1c(CCN)ccc(S(C)(=O)=O)c1F
InChIInChI=1S/C10H14FNO3S/c1-15-10-7(5-6-12)3-4-8(9(10)11)16(2,13)14/h3-4H,5-6,12H2,1-2H3
InChIKeyYNOJHHQQKDPTAA-UHFFFAOYSA-N
XLogP0.74
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-aminoethyl)-2-fluoro-3-methylsulfonylphenol
CID 117337806
2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)propan-1-amine
CID 117407315
(2,3-difluoro-4-methylsulfonylphenyl)methanamine
CID 117315311
2-[6-(2-aminoethyl)-1,5-dimethoxynaphthalen-2-yl]ethanamine
CID 170886567
2-(4-fluoro-3-methoxy-2-methylphenyl)ethanamine
CID 59994575
2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)propan-2-ol
CID 117410038
2-(2,5-difluoro-4-methylsulfonylphenyl)ethanamine
CID 117341939
2-(3-fluoro-4-methylsulfonylphenyl)ethanamine
CID 84785221
3-(2-fluoro-3-methylsulfonylphenyl)propan-1-amine
CID 117334339
2-(2-methylsulfonylphenyl)ethanamine;hydrochloride
CID 86222883
4-(2-aminoethyl)-2,3-dimethoxybenzaldehyde
CID 117298510
O-[2-(2-methoxy-3-methylsulfonylphenyl)ethyl]hydroxylamine
CID 117365223

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)ethanamine?
The IUPAC name of 2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)ethanamine (CID 117370209) is 2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)ethanamine.
What is the SMILES notation for 2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)ethanamine?
The canonical SMILES for 2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)ethanamine is COc1c(CCN)ccc(S(C)(=O)=O)c1F.
What is the InChIKey of 2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)ethanamine?
The InChIKey is YNOJHHQQKDPTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO3S/c1-15-10-7(5-6-12)3-4-8(9(10)11)16(2,13)14/h3-4H,5-6,12H2,1-2H3.
What are the key properties of 2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)ethanamine?
2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)ethanamine has a molecular weight of 247.29 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)ethanamine is sourced from PubChem (CID 117370209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).