[2-fluoro-3-[(4-propan-2-ylphenyl)sulfinylmethyl]phenyl]methanamine

C17H20FNOS — CID 107120148

IUPAC[2-fluoro-3-[(4-propan-2-ylphenyl)sulfinylmethyl]phenyl]methanamine
SMILESCC(C)c1ccc(S(=O)Cc2cccc(CN)c2F)cc1
InChIInChI=1S/C17H20FNOS/c1-12(2)13-6-8-16(9-7-13)21(20)11-15-5-3-4-14(10-19)17(15)18/h3-9,12H,10-11,19H2,1-2H3
InChIKeyRFNJZPVSZUGLHU-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.72
Rot. Bonds5

About [2-fluoro-3-[(4-propan-2-ylphenyl)sulfinylmethyl]phenyl]methanamine

[2-fluoro-3-[(4-propan-2-ylphenyl)sulfinylmethyl]phenyl]methanamine (PubChem CID 107120148) has the molecular formula C17H20FNOS and a molecular weight of 305.42 g/mol. Its IUPAC name is [2-fluoro-3-[(4-propan-2-ylphenyl)sulfinylmethyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-3-[(4-propan-2-ylphenyl)sulfinylmethyl]phenyl]methanamine
PubChem CID107120148
Molecular FormulaC17H20FNOS
Molecular Weight305.42 g/mol
Exact Mass305.12
IUPAC Name[2-fluoro-3-[(4-propan-2-ylphenyl)sulfinylmethyl]phenyl]methanamine
SMILESCC(C)c1ccc(S(=O)Cc2cccc(CN)c2F)cc1
InChIInChI=1S/C17H20FNOS/c1-12(2)13-6-8-16(9-7-13)21(20)11-15-5-3-4-14(10-19)17(15)18/h3-9,12H,10-11,19H2,1-2H3
InChIKeyRFNJZPVSZUGLHU-UHFFFAOYSA-N
XLogP3.72
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-fluoro-3-[(4-propan-2-ylphenyl)sulfinylmethyl]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-[(3,4-dimethylphenyl)sulfinylmethyl]-2-fluorophenyl]methanamine
CID 107120141
[3-chloro-4-[(4-propan-2-ylphenyl)sulfinylmethyl]phenyl]methanamine
CID 102670629
[2-fluoro-3-(3-methylbutylsulfinylmethyl)phenyl]methanamine
CID 107767482
[2-fluoro-3-[(2-fluorophenyl)sulfinylmethyl]phenyl]methanamine
CID 107120145
5-chloro-2-[(4-propan-2-ylphenyl)sulfinylmethyl]aniline
CID 62100627
3-fluoro-4-[(4-propan-2-ylphenyl)sulfinylmethyl]benzonitrile
CID 64692306
4-(4-propan-2-ylphenyl)sulfinylbutan-2-amine
CID 64659709
[4-fluoro-2-[(4-fluorophenyl)sulfinylmethyl]phenyl]methanamine
CID 81328809
2-fluoro-4-[(4-propan-2-ylphenyl)methylsulfinyl]aniline
CID 81191175
2-fluoro-3-[(3-methylphenyl)sulfinylmethyl]aniline
CID 107350479
2-[(4-fluorophenyl)sulfinylmethyl]-1,3-dimethylbenzene
CID 78998480
[2-[(3,4-dichlorophenyl)sulfinylmethyl]-4-fluorophenyl]methanamine
CID 81333539

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-3-[(4-propan-2-ylphenyl)sulfinylmethyl]phenyl]methanamine?
The IUPAC name of [2-fluoro-3-[(4-propan-2-ylphenyl)sulfinylmethyl]phenyl]methanamine (CID 107120148) is [2-fluoro-3-[(4-propan-2-ylphenyl)sulfinylmethyl]phenyl]methanamine.
What is the SMILES notation for [2-fluoro-3-[(4-propan-2-ylphenyl)sulfinylmethyl]phenyl]methanamine?
The canonical SMILES for [2-fluoro-3-[(4-propan-2-ylphenyl)sulfinylmethyl]phenyl]methanamine is CC(C)c1ccc(S(=O)Cc2cccc(CN)c2F)cc1.
What is the InChIKey of [2-fluoro-3-[(4-propan-2-ylphenyl)sulfinylmethyl]phenyl]methanamine?
The InChIKey is RFNJZPVSZUGLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNOS/c1-12(2)13-6-8-16(9-7-13)21(20)11-15-5-3-4-14(10-19)17(15)18/h3-9,12H,10-11,19H2,1-2H3.
What are the key properties of [2-fluoro-3-[(4-propan-2-ylphenyl)sulfinylmethyl]phenyl]methanamine?
[2-fluoro-3-[(4-propan-2-ylphenyl)sulfinylmethyl]phenyl]methanamine has a molecular weight of 305.42 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-3-[(4-propan-2-ylphenyl)sulfinylmethyl]phenyl]methanamine is sourced from PubChem (CID 107120148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).