2-N-(4-fluorophenyl)-2-N,3-dimethylbenzene-1,2-diamine

C14H15FN2 — CID 115550393

IUPAC2-N-(4-fluorophenyl)-2-N,3-dimethylbenzene-1,2-diamine
SMILESCc1cccc(N)c1N(C)c1ccc(F)cc1
InChIInChI=1S/C14H15FN2/c1-10-4-3-5-13(16)14(10)17(2)12-8-6-11(15)7-9-12/h3-9H,16H2,1-2H3
InChIKeyOCTHOXWSEUPLOW-UHFFFAOYSA-N
MW230.29 g/mol
LogP3.48
Rot. Bonds2

About 2-N-(4-fluorophenyl)-2-N,3-dimethylbenzene-1,2-diamine

2-N-(4-fluorophenyl)-2-N,3-dimethylbenzene-1,2-diamine (PubChem CID 115550393) has the molecular formula C14H15FN2 and a molecular weight of 230.29 g/mol. Its IUPAC name is 2-N-(4-fluorophenyl)-2-N,3-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-fluorophenyl)-2-N,3-dimethylbenzene-1,2-diamine
PubChem CID115550393
Molecular FormulaC14H15FN2
Molecular Weight230.29 g/mol
Exact Mass230.12
IUPAC Name2-N-(4-fluorophenyl)-2-N,3-dimethylbenzene-1,2-diamine
SMILESCc1cccc(N)c1N(C)c1ccc(F)cc1
InChIInChI=1S/C14H15FN2/c1-10-4-3-5-13(16)14(10)17(2)12-8-6-11(15)7-9-12/h3-9H,16H2,1-2H3
InChIKeyOCTHOXWSEUPLOW-UHFFFAOYSA-N
XLogP3.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-N-(4-fluorophenyl)-2-N,3-dimethylbenzene-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-(3,4-difluorophenyl)-2-N,3-dimethylbenzene-1,2-diamine
CID 115126009
ethyl 3-amino-2-(4-fluoro-N-methylanilino)benzoate
CID 115934746
2-N-(3H-benzimidazol-5-yl)-2-N,3-dimethylbenzene-1,2-diamine
CID 115126028
2-N-ethyl-2-N,3-dimethylbenzene-1,2-diamine
CID 115550058
2-N-(5-bromothiophen-2-yl)-2-N,3-dimethylbenzene-1,2-diamine
CID 115126002
2-N-(3,4-dihydro-2H-chromen-6-yl)-2-N,3-dimethylbenzene-1,2-diamine
CID 115126021
3-fluoro-2-N-methyl-2-N-(1H-pyrrol-3-yl)benzene-1,2-diamine
CID 115125688
4-fluoro-N-methyl-N-phenylaniline
CID 54288754
2-N,3-dimethyl-2-N-(2-methyl-5-propan-2-ylphenyl)benzene-1,2-diamine
CID 115126020
N-(4-fluorophenyl)-N,2-dimethyl-4,6-bis(trifluoromethyl)aniline
CID 171837541
2-(4-fluoro-2-methylphenoxy)-3-methylaniline
CID 68879061
3,4-difluoro-2-N-methyl-2-N-phenylbenzene-1,2-diamine
CID 62532805

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-fluorophenyl)-2-N,3-dimethylbenzene-1,2-diamine?
The IUPAC name of 2-N-(4-fluorophenyl)-2-N,3-dimethylbenzene-1,2-diamine (CID 115550393) is 2-N-(4-fluorophenyl)-2-N,3-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-(4-fluorophenyl)-2-N,3-dimethylbenzene-1,2-diamine?
The canonical SMILES for 2-N-(4-fluorophenyl)-2-N,3-dimethylbenzene-1,2-diamine is Cc1cccc(N)c1N(C)c1ccc(F)cc1.
What is the InChIKey of 2-N-(4-fluorophenyl)-2-N,3-dimethylbenzene-1,2-diamine?
The InChIKey is OCTHOXWSEUPLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2/c1-10-4-3-5-13(16)14(10)17(2)12-8-6-11(15)7-9-12/h3-9H,16H2,1-2H3.
What are the key properties of 2-N-(4-fluorophenyl)-2-N,3-dimethylbenzene-1,2-diamine?
2-N-(4-fluorophenyl)-2-N,3-dimethylbenzene-1,2-diamine has a molecular weight of 230.29 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-fluorophenyl)-2-N,3-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 115550393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).