1-[(2-fluoro-4-methoxyphenyl)methylsulfinyl]propan-2-amine

C11H16FNO2S — CID 102879995

IUPAC1-[(2-fluoro-4-methoxyphenyl)methylsulfinyl]propan-2-amine
SMILESCOc1ccc(CS(=O)CC(C)N)c(F)c1
InChIInChI=1S/C11H16FNO2S/c1-8(13)6-16(14)7-9-3-4-10(15-2)5-11(9)12/h3-5,8H,6-7,13H2,1-2H3
InChIKeyLGEJPUJRDMZUOJ-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.43
Rot. Bonds5

About 1-[(2-fluoro-4-methoxyphenyl)methylsulfinyl]propan-2-amine

1-[(2-fluoro-4-methoxyphenyl)methylsulfinyl]propan-2-amine (PubChem CID 102879995) has the molecular formula C11H16FNO2S and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-[(2-fluoro-4-methoxyphenyl)methylsulfinyl]propan-2-amine.

Molecular Properties

Compound Name1-[(2-fluoro-4-methoxyphenyl)methylsulfinyl]propan-2-amine
PubChem CID102879995
Molecular FormulaC11H16FNO2S
Molecular Weight245.32 g/mol
Exact Mass245.09
IUPAC Name1-[(2-fluoro-4-methoxyphenyl)methylsulfinyl]propan-2-amine
SMILESCOc1ccc(CS(=O)CC(C)N)c(F)c1
InChIInChI=1S/C11H16FNO2S/c1-8(13)6-16(14)7-9-3-4-10(15-2)5-11(9)12/h3-5,8H,6-7,13H2,1-2H3
InChIKeyLGEJPUJRDMZUOJ-UHFFFAOYSA-N
XLogP1.43
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-acetamido-3-[(2-fluoro-4-methoxyphenyl)methylsulfinyl]propanoic acid
CID 107775659
3-fluoro-4-(2-methylpropylsulfinylmethyl)aniline
CID 64768318
2-fluoro-4-[(2-fluoro-4-methoxyphenyl)methylsulfinyl]aniline
CID 102879980
4-chloro-2-[(2-fluoro-4-methoxyphenyl)methylsulfinyl]aniline
CID 102879929
3-[(2-fluoro-4-methoxyphenyl)methylsulfinyl]-4-methylaniline
CID 102879973
3-amino-N-[(2-fluoro-4-methoxyphenyl)methyl]butanamide;hydrochloride
CID 119802030
dimethyl 2-[(2-fluoro-4-methoxyphenyl)methyl]propanedioate
CID 102880094
CID 59418410
CID 59418410
1-(4-methoxyphenyl)sulfinylpropan-2-amine
CID 64658921
4-(2-fluoro-4-methoxyphenyl)pentan-2-amine
CID 83909628
[3-fluoro-4-[(3-methoxyphenyl)sulfinylmethyl]phenyl]methanamine
CID 81328422
1-[(2-methylphenyl)methylsulfinyl]propan-2-amine
CID 64659194

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-4-methoxyphenyl)methylsulfinyl]propan-2-amine?
The IUPAC name of 1-[(2-fluoro-4-methoxyphenyl)methylsulfinyl]propan-2-amine (CID 102879995) is 1-[(2-fluoro-4-methoxyphenyl)methylsulfinyl]propan-2-amine.
What is the SMILES notation for 1-[(2-fluoro-4-methoxyphenyl)methylsulfinyl]propan-2-amine?
The canonical SMILES for 1-[(2-fluoro-4-methoxyphenyl)methylsulfinyl]propan-2-amine is COc1ccc(CS(=O)CC(C)N)c(F)c1.
What is the InChIKey of 1-[(2-fluoro-4-methoxyphenyl)methylsulfinyl]propan-2-amine?
The InChIKey is LGEJPUJRDMZUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2S/c1-8(13)6-16(14)7-9-3-4-10(15-2)5-11(9)12/h3-5,8H,6-7,13H2,1-2H3.
What are the key properties of 1-[(2-fluoro-4-methoxyphenyl)methylsulfinyl]propan-2-amine?
1-[(2-fluoro-4-methoxyphenyl)methylsulfinyl]propan-2-amine has a molecular weight of 245.32 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-4-methoxyphenyl)methylsulfinyl]propan-2-amine is sourced from PubChem (CID 102879995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).