[2-fluoro-3-[(4-methoxyphenyl)sulfanylmethyl]phenyl]methanamine

C15H16FNOS — CID 107118884

IUPAC[2-fluoro-3-[(4-methoxyphenyl)sulfanylmethyl]phenyl]methanamine
SMILESCOc1ccc(SCc2cccc(CN)c2F)cc1
InChIInChI=1S/C15H16FNOS/c1-18-13-5-7-14(8-6-13)19-10-12-4-2-3-11(9-17)15(12)16/h2-8H,9-10,17H2,1H3
InChIKeyZGDNHDOMYYERES-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.59
Rot. Bonds5

About [2-fluoro-3-[(4-methoxyphenyl)sulfanylmethyl]phenyl]methanamine

[2-fluoro-3-[(4-methoxyphenyl)sulfanylmethyl]phenyl]methanamine (PubChem CID 107118884) has the molecular formula C15H16FNOS and a molecular weight of 277.36 g/mol. Its IUPAC name is [2-fluoro-3-[(4-methoxyphenyl)sulfanylmethyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-3-[(4-methoxyphenyl)sulfanylmethyl]phenyl]methanamine
PubChem CID107118884
Molecular FormulaC15H16FNOS
Molecular Weight277.36 g/mol
Exact Mass277.09
IUPAC Name[2-fluoro-3-[(4-methoxyphenyl)sulfanylmethyl]phenyl]methanamine
SMILESCOc1ccc(SCc2cccc(CN)c2F)cc1
InChIInChI=1S/C15H16FNOS/c1-18-13-5-7-14(8-6-13)19-10-12-4-2-3-11(9-17)15(12)16/h2-8H,9-10,17H2,1H3
InChIKeyZGDNHDOMYYERES-UHFFFAOYSA-N
XLogP3.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-fluoro-3-[(4-methoxyphenyl)sulfanylmethyl]phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[(4-bromophenyl)sulfanylmethyl]-2-fluorophenyl]methanamine
CID 107118860
[2-fluoro-3-[(3-methylphenyl)sulfanylmethyl]phenyl]methanamine
CID 107118906
[3-chloro-4-[(4-methoxyphenyl)sulfanylmethyl]phenyl]methanamine
CID 102669110
1-[4-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]phenyl]ethanone
CID 104794994
3-[[4-(aminomethyl)phenyl]sulfanylmethyl]-2-fluorobenzonitrile
CID 107119986
2-fluoro-3-(phenylsulfanylmethyl)aniline
CID 107349748
3-chloro-2-[(4-methoxyphenyl)sulfanylmethyl]aniline
CID 63746464
3-[(4-chlorophenyl)sulfanylmethyl]-2-fluoroaniline
CID 107349747
[2-fluoro-3-[(2-methylphenyl)methylsulfanylmethyl]phenyl]methanamine
CID 107118915
3-[2-[(4-methoxyphenyl)sulfanylmethyl]phenyl]prop-2-enoic acid
CID 76908806
6-[(4-methoxyphenyl)sulfanylmethyl]pyridine-2-carboxylic acid
CID 106903462
[4-[(6-methoxy-2-pyridinyl)methylsulfanyl]phenyl]methanamine
CID 113384726

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-3-[(4-methoxyphenyl)sulfanylmethyl]phenyl]methanamine?
The IUPAC name of [2-fluoro-3-[(4-methoxyphenyl)sulfanylmethyl]phenyl]methanamine (CID 107118884) is [2-fluoro-3-[(4-methoxyphenyl)sulfanylmethyl]phenyl]methanamine.
What is the SMILES notation for [2-fluoro-3-[(4-methoxyphenyl)sulfanylmethyl]phenyl]methanamine?
The canonical SMILES for [2-fluoro-3-[(4-methoxyphenyl)sulfanylmethyl]phenyl]methanamine is COc1ccc(SCc2cccc(CN)c2F)cc1.
What is the InChIKey of [2-fluoro-3-[(4-methoxyphenyl)sulfanylmethyl]phenyl]methanamine?
The InChIKey is ZGDNHDOMYYERES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNOS/c1-18-13-5-7-14(8-6-13)19-10-12-4-2-3-11(9-17)15(12)16/h2-8H,9-10,17H2,1H3.
What are the key properties of [2-fluoro-3-[(4-methoxyphenyl)sulfanylmethyl]phenyl]methanamine?
[2-fluoro-3-[(4-methoxyphenyl)sulfanylmethyl]phenyl]methanamine has a molecular weight of 277.36 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-3-[(4-methoxyphenyl)sulfanylmethyl]phenyl]methanamine is sourced from PubChem (CID 107118884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).