[3-fluoro-4-[(3-methoxyphenyl)sulfinylmethyl]phenyl]methanamine

C15H16FNO2S — CID 81328422

IUPAC[3-fluoro-4-[(3-methoxyphenyl)sulfinylmethyl]phenyl]methanamine
SMILESCOc1cccc(S(=O)Cc2ccc(CN)cc2F)c1
InChIInChI=1S/C15H16FNO2S/c1-19-13-3-2-4-14(8-13)20(18)10-12-6-5-11(9-17)7-15(12)16/h2-8H,9-10,17H2,1H3
InChIKeyNRNPHVGLOCJTSH-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.60
Rot. Bonds5

About [3-fluoro-4-[(3-methoxyphenyl)sulfinylmethyl]phenyl]methanamine

[3-fluoro-4-[(3-methoxyphenyl)sulfinylmethyl]phenyl]methanamine (PubChem CID 81328422) has the molecular formula C15H16FNO2S and a molecular weight of 293.36 g/mol. Its IUPAC name is [3-fluoro-4-[(3-methoxyphenyl)sulfinylmethyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-4-[(3-methoxyphenyl)sulfinylmethyl]phenyl]methanamine
PubChem CID81328422
Molecular FormulaC15H16FNO2S
Molecular Weight293.36 g/mol
Exact Mass293.09
IUPAC Name[3-fluoro-4-[(3-methoxyphenyl)sulfinylmethyl]phenyl]methanamine
SMILESCOc1cccc(S(=O)Cc2ccc(CN)cc2F)c1
InChIInChI=1S/C15H16FNO2S/c1-19-13-3-2-4-14(8-13)20(18)10-12-6-5-11(9-17)7-15(12)16/h2-8H,9-10,17H2,1H3
InChIKeyNRNPHVGLOCJTSH-UHFFFAOYSA-N
XLogP2.60
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(3-methoxyphenyl)sulfinylmethyl]-3-methylphenyl]methanamine
CID 114486186
[4-[(3,4-dimethylphenyl)sulfinylmethyl]-3-fluorophenyl]methanamine
CID 81328710
2-fluoro-4-[(2-fluoro-4-methoxyphenyl)methylsulfinyl]aniline
CID 102879980
3-bromo-4-[(3-methoxyphenyl)sulfinylmethyl]aniline
CID 61303008
4-fluoro-2-[(3-methoxyphenyl)sulfinylmethyl]benzonitrile
CID 107909363
[4-[(2,5-dichlorophenyl)sulfinylmethyl]-3-fluorophenyl]methanamine
CID 81329209
3-[(4-methoxyphenyl)methylsulfinyl]aniline
CID 81181267
4-(aminomethyl)-2-fluoro-N-(3-methoxyphenyl)-N-methylaniline
CID 55207807
[3-[(2,5-difluorophenyl)sulfinylmethyl]-4-methoxyphenyl]methanamine
CID 64653492
1-(3-methoxyphenyl)sulfinylbutan-2-one
CID 64640851
4-[(3-chlorophenyl)sulfinylmethyl]-3-fluoroaniline
CID 64768903
1-[(2-fluoro-4-methoxyphenyl)methylsulfinyl]propan-2-amine
CID 102879995

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-[(3-methoxyphenyl)sulfinylmethyl]phenyl]methanamine?
The IUPAC name of [3-fluoro-4-[(3-methoxyphenyl)sulfinylmethyl]phenyl]methanamine (CID 81328422) is [3-fluoro-4-[(3-methoxyphenyl)sulfinylmethyl]phenyl]methanamine.
What is the SMILES notation for [3-fluoro-4-[(3-methoxyphenyl)sulfinylmethyl]phenyl]methanamine?
The canonical SMILES for [3-fluoro-4-[(3-methoxyphenyl)sulfinylmethyl]phenyl]methanamine is COc1cccc(S(=O)Cc2ccc(CN)cc2F)c1.
What is the InChIKey of [3-fluoro-4-[(3-methoxyphenyl)sulfinylmethyl]phenyl]methanamine?
The InChIKey is NRNPHVGLOCJTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2S/c1-19-13-3-2-4-14(8-13)20(18)10-12-6-5-11(9-17)7-15(12)16/h2-8H,9-10,17H2,1H3.
What are the key properties of [3-fluoro-4-[(3-methoxyphenyl)sulfinylmethyl]phenyl]methanamine?
[3-fluoro-4-[(3-methoxyphenyl)sulfinylmethyl]phenyl]methanamine has a molecular weight of 293.36 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-[(3-methoxyphenyl)sulfinylmethyl]phenyl]methanamine is sourced from PubChem (CID 81328422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).