2-N-(3-fluoro-4-methylphenyl)benzene-1,2-diamine

C13H13FN2 — CID 29067362

IUPAC2-N-(3-fluoro-4-methylphenyl)benzene-1,2-diamine
SMILESCc1ccc(Nc2ccccc2N)cc1F
InChIInChI=1S/C13H13FN2/c1-9-6-7-10(8-11(9)14)16-13-5-3-2-4-12(13)15/h2-8,16H,15H2,1H3
InChIKeyQYLROHLFIFLJSP-UHFFFAOYSA-N
MW216.26 g/mol
LogP3.46
Rot. Bonds2

About 2-N-(3-fluoro-4-methylphenyl)benzene-1,2-diamine

2-N-(3-fluoro-4-methylphenyl)benzene-1,2-diamine (PubChem CID 29067362) has the molecular formula C13H13FN2 and a molecular weight of 216.26 g/mol. Its IUPAC name is 2-N-(3-fluoro-4-methylphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-fluoro-4-methylphenyl)benzene-1,2-diamine
PubChem CID29067362
Molecular FormulaC13H13FN2
Molecular Weight216.26 g/mol
Exact Mass216.11
IUPAC Name2-N-(3-fluoro-4-methylphenyl)benzene-1,2-diamine
SMILESCc1ccc(Nc2ccccc2N)cc1F
InChIInChI=1S/C13H13FN2/c1-9-6-7-10(8-11(9)14)16-13-5-3-2-4-12(13)15/h2-8,16H,15H2,1H3
InChIKeyQYLROHLFIFLJSP-UHFFFAOYSA-N
XLogP3.46
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-N-(3-fluoro-4-methylphenyl)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-(3-bromo-4-methylphenyl)benzene-1,2-diamine
CID 63333214
4-bromo-2-N-(3-fluoro-4-methylphenyl)benzene-1,2-diamine
CID 65343511
3-chloro-1-N-(3-fluoro-4-methylphenyl)benzene-1,2-diamine
CID 113458519
4-(2-aminoanilino)-2-methylbenzenethiol
CID 174466890
4-bromo-5-fluoro-1-N-(3-fluoro-4-methylphenyl)benzene-1,2-diamine
CID 66111485
3-fluoro-4-methyl-N-(2-nitrophenyl)aniline
CID 7779028
2-N-[3-(2-aminoanilino)phenyl]benzene-1,2-diamine
CID 18522059
4-ethoxy-5-fluoro-2-N-(3-fluoro-4-methylphenyl)benzene-1,2-diamine
CID 63592152
ethyl 2-amino-3-(3-fluoro-4-methylanilino)benzoate
CID 115544518
1-N-(4-chloro-3-fluorophenyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103590102
2-methyl-4-N-(2,4,5-trifluorophenyl)benzene-1,4-diamine
CID 62816588
4-N-(2-bromophenyl)-2-methylbenzene-1,4-diamine
CID 43436298

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-fluoro-4-methylphenyl)benzene-1,2-diamine?
The IUPAC name of 2-N-(3-fluoro-4-methylphenyl)benzene-1,2-diamine (CID 29067362) is 2-N-(3-fluoro-4-methylphenyl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-(3-fluoro-4-methylphenyl)benzene-1,2-diamine?
The canonical SMILES for 2-N-(3-fluoro-4-methylphenyl)benzene-1,2-diamine is Cc1ccc(Nc2ccccc2N)cc1F.
What is the InChIKey of 2-N-(3-fluoro-4-methylphenyl)benzene-1,2-diamine?
The InChIKey is QYLROHLFIFLJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2/c1-9-6-7-10(8-11(9)14)16-13-5-3-2-4-12(13)15/h2-8,16H,15H2,1H3.
What are the key properties of 2-N-(3-fluoro-4-methylphenyl)benzene-1,2-diamine?
2-N-(3-fluoro-4-methylphenyl)benzene-1,2-diamine has a molecular weight of 216.26 g/mol, XLogP of 3.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-fluoro-4-methylphenyl)benzene-1,2-diamine is sourced from PubChem (CID 29067362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).