2-N-(2-fluorophenyl)-1-N-(3-methylbutyl)benzene-1,2-diamine

C17H21FN2 — CID 19043346

IUPAC2-N-(2-fluorophenyl)-1-N-(3-methylbutyl)benzene-1,2-diamine
SMILESCC(C)CCNc1ccccc1Nc1ccccc1F
InChIInChI=1S/C17H21FN2/c1-13(2)11-12-19-16-9-5-6-10-17(16)20-15-8-4-3-7-14(15)18/h3-10,13,19-20H,11-12H2,1-2H3
InChIKeyOOINSZSFFIBATC-UHFFFAOYSA-N
MW272.37 g/mol
LogP5.03
Rot. Bonds6

About 2-N-(2-fluorophenyl)-1-N-(3-methylbutyl)benzene-1,2-diamine

2-N-(2-fluorophenyl)-1-N-(3-methylbutyl)benzene-1,2-diamine (PubChem CID 19043346) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-N-(2-fluorophenyl)-1-N-(3-methylbutyl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-fluorophenyl)-1-N-(3-methylbutyl)benzene-1,2-diamine
PubChem CID19043346
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC Name2-N-(2-fluorophenyl)-1-N-(3-methylbutyl)benzene-1,2-diamine
SMILESCC(C)CCNc1ccccc1Nc1ccccc1F
InChIInChI=1S/C17H21FN2/c1-13(2)11-12-19-16-9-5-6-10-17(16)20-15-8-4-3-7-14(15)18/h3-10,13,19-20H,11-12H2,1-2H3
InChIKeyOOINSZSFFIBATC-UHFFFAOYSA-N
XLogP5.03
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.37
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-N-(2-fluorophenyl)-1-N-(3-methylbutyl)benzene-1,2-diamine 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

2-N-(2-fluorophenyl)-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112925174
2-fluoro-N-[2-(3-methylbutylsulfonyl)ethyl]aniline
CID 107757775
2-fluoro-4-methyl-N-(3-methylbutyl)aniline
CID 28877553
2-fluoro-N-(4-propan-2-ylphenyl)aniline
CID 155290026
2,3-dimethyl-N-(3-methylbutyl)aniline
CID 29053614
3-fluoro-1-N-(5-methylhexyl)benzene-1,2-diamine
CID 115324654
2-(3-methylbutylamino)benzenesulfonamide
CID 43454227
2-fluoro-6-(4-methylpentylamino)benzenecarbothioamide
CID 79519576
N-(2-fluorophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine
CID 62558241
2-(2-fluoroanilino)-2,5-dimethylhexan-1-ol
CID 61049721
N-(3-methylbutyl)-2-nitroaniline
CID 21476259
3-N-(2-aminoethyl)-1-N-(3-methylbutyl)benzene-1,3-diamine
CID 170004129

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-fluorophenyl)-1-N-(3-methylbutyl)benzene-1,2-diamine?
The IUPAC name of 2-N-(2-fluorophenyl)-1-N-(3-methylbutyl)benzene-1,2-diamine (CID 19043346) is 2-N-(2-fluorophenyl)-1-N-(3-methylbutyl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-(2-fluorophenyl)-1-N-(3-methylbutyl)benzene-1,2-diamine?
The canonical SMILES for 2-N-(2-fluorophenyl)-1-N-(3-methylbutyl)benzene-1,2-diamine is CC(C)CCNc1ccccc1Nc1ccccc1F.
What is the InChIKey of 2-N-(2-fluorophenyl)-1-N-(3-methylbutyl)benzene-1,2-diamine?
The InChIKey is OOINSZSFFIBATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-13(2)11-12-19-16-9-5-6-10-17(16)20-15-8-4-3-7-14(15)18/h3-10,13,19-20H,11-12H2,1-2H3.
What are the key properties of 2-N-(2-fluorophenyl)-1-N-(3-methylbutyl)benzene-1,2-diamine?
2-N-(2-fluorophenyl)-1-N-(3-methylbutyl)benzene-1,2-diamine has a molecular weight of 272.37 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-fluorophenyl)-1-N-(3-methylbutyl)benzene-1,2-diamine is sourced from PubChem (CID 19043346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).