[5-fluoro-2-[(2-methoxyphenyl)sulfinylmethyl]phenyl]methanamine

C15H16FNO2S — CID 81328070

IUPAC[5-fluoro-2-[(2-methoxyphenyl)sulfinylmethyl]phenyl]methanamine
SMILESCOc1ccccc1S(=O)Cc1ccc(F)cc1CN
InChIInChI=1S/C15H16FNO2S/c1-19-14-4-2-3-5-15(14)20(18)10-11-6-7-13(16)8-12(11)9-17/h2-8H,9-10,17H2,1H3
InChIKeyNMQAAZMRZUEARK-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.60
Rot. Bonds5

About [5-fluoro-2-[(2-methoxyphenyl)sulfinylmethyl]phenyl]methanamine

[5-fluoro-2-[(2-methoxyphenyl)sulfinylmethyl]phenyl]methanamine (PubChem CID 81328070) has the molecular formula C15H16FNO2S and a molecular weight of 293.36 g/mol. Its IUPAC name is [5-fluoro-2-[(2-methoxyphenyl)sulfinylmethyl]phenyl]methanamine.

Molecular Properties

Compound Name[5-fluoro-2-[(2-methoxyphenyl)sulfinylmethyl]phenyl]methanamine
PubChem CID81328070
Molecular FormulaC15H16FNO2S
Molecular Weight293.36 g/mol
Exact Mass293.09
IUPAC Name[5-fluoro-2-[(2-methoxyphenyl)sulfinylmethyl]phenyl]methanamine
SMILESCOc1ccccc1S(=O)Cc1ccc(F)cc1CN
InChIInChI=1S/C15H16FNO2S/c1-19-14-4-2-3-5-15(14)20(18)10-11-6-7-13(16)8-12(11)9-17/h2-8H,9-10,17H2,1H3
InChIKeyNMQAAZMRZUEARK-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

[2-[(2-chlorophenyl)sulfinylmethyl]-5-fluorophenyl]methanamine
CID 81329605
[2-[(2-bromophenyl)sulfinylmethyl]-5-fluorophenyl]methanamine
CID 81328755
[2-[(2-bromophenyl)sulfinylmethyl]-4-fluorophenyl]methanamine
CID 81329052
[3-[(2,5-difluorophenyl)sulfinylmethyl]-4-methoxyphenyl]methanamine
CID 64653492
4-ethoxy-3-[(2-methoxyphenyl)sulfinylmethyl]aniline
CID 61292263
[5-fluoro-2-[(2-methylphenyl)methylsulfinylmethyl]phenyl]methanamine
CID 81333163
(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
4-fluoro-2-[(2-methoxy-5-methylphenyl)methylsulfinyl]aniline
CID 81182817
2-[(2-methoxyphenyl)sulfinylmethyl]benzoic acid
CID 61290747
[4-fluoro-2-[(4-fluorophenyl)sulfinylmethyl]phenyl]methanamine
CID 81328809
[2-(aminomethyl)-4-fluorophenyl]methanamine
CID 44784876
[5-fluoro-2-(methoxymethyl)phenyl]methanamine
CID 63289386

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-[(2-methoxyphenyl)sulfinylmethyl]phenyl]methanamine?
The IUPAC name of [5-fluoro-2-[(2-methoxyphenyl)sulfinylmethyl]phenyl]methanamine (CID 81328070) is [5-fluoro-2-[(2-methoxyphenyl)sulfinylmethyl]phenyl]methanamine.
What is the SMILES notation for [5-fluoro-2-[(2-methoxyphenyl)sulfinylmethyl]phenyl]methanamine?
The canonical SMILES for [5-fluoro-2-[(2-methoxyphenyl)sulfinylmethyl]phenyl]methanamine is COc1ccccc1S(=O)Cc1ccc(F)cc1CN.
What is the InChIKey of [5-fluoro-2-[(2-methoxyphenyl)sulfinylmethyl]phenyl]methanamine?
The InChIKey is NMQAAZMRZUEARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2S/c1-19-14-4-2-3-5-15(14)20(18)10-11-6-7-13(16)8-12(11)9-17/h2-8H,9-10,17H2,1H3.
What are the key properties of [5-fluoro-2-[(2-methoxyphenyl)sulfinylmethyl]phenyl]methanamine?
[5-fluoro-2-[(2-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 [5-fluoro-2-[(2-methoxyphenyl)sulfinylmethyl]phenyl]methanamine is sourced from PubChem (CID 81328070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).