4-fluoro-1-N,5-dimethyl-1-N-(2-methylbutyl)benzene-1,2-diamine

C13H21FN2 — CID 103589931

IUPAC4-fluoro-1-N,5-dimethyl-1-N-(2-methylbutyl)benzene-1,2-diamine
SMILESCCC(C)CN(C)c1cc(C)c(F)cc1N
InChIInChI=1S/C13H21FN2/c1-5-9(2)8-16(4)13-6-10(3)11(14)7-12(13)15/h6-7,9H,5,8,15H2,1-4H3
InChIKeyDJAIWIJSCXRNKQ-UHFFFAOYSA-N
MW224.32 g/mol
LogP3.20
Rot. Bonds4

About 4-fluoro-1-N,5-dimethyl-1-N-(2-methylbutyl)benzene-1,2-diamine

4-fluoro-1-N,5-dimethyl-1-N-(2-methylbutyl)benzene-1,2-diamine (PubChem CID 103589931) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is 4-fluoro-1-N,5-dimethyl-1-N-(2-methylbutyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-1-N,5-dimethyl-1-N-(2-methylbutyl)benzene-1,2-diamine
PubChem CID103589931
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC Name4-fluoro-1-N,5-dimethyl-1-N-(2-methylbutyl)benzene-1,2-diamine
SMILESCCC(C)CN(C)c1cc(C)c(F)cc1N
InChIInChI=1S/C13H21FN2/c1-5-9(2)8-16(4)13-6-10(3)11(14)7-12(13)15/h6-7,9H,5,8,15H2,1-4H3
InChIKeyDJAIWIJSCXRNKQ-UHFFFAOYSA-N
XLogP3.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-fluoro-1-N,5-dimethyl-1-N-(2-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

4-chloro-5-fluoro-1-N-methyl-1-N-(2-methylbutyl)benzene-1,2-diamine
CID 66078567
1-N-[(4-chlorophenyl)methyl]-4-fluoro-1-N,5-dimethylbenzene-1,2-diamine
CID 103590061
2-(2-amino-4-fluoro-N,5-dimethylanilino)acetic acid
CID 103590283
1-(2-amino-4-fluoro-N,5-dimethylanilino)-2-methylpropan-2-ol
CID 103590550
1-N-methyl-1-N-(2-methylbutyl)-4-methylsulfonylbenzene-1,2-diamine
CID 43382637
2-(2-amino-4-fluoro-N,5-dimethylanilino)-N-propylacetamide
CID 103590092
3-amino-4-[methyl(2-methylbutyl)amino]benzoic acid
CID 60989618
2-(2-aminoethyl)-4-fluoro-N-methyl-N-(2-methylbutyl)aniline
CID 63783578
2-bromo-1-N-ethyl-5-methyl-1-N-(2-methylbutyl)benzene-1,4-diamine
CID 114048289
3-fluoro-4-[methyl(2-methylbutyl)amino]benzenecarbothioamide
CID 43657911
2-(aminomethyl)-4-fluoro-N-methyl-N-(2-methylbutyl)aniline
CID 43314003
2-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylbutyl)aniline
CID 79515809

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-N,5-dimethyl-1-N-(2-methylbutyl)benzene-1,2-diamine?
The IUPAC name of 4-fluoro-1-N,5-dimethyl-1-N-(2-methylbutyl)benzene-1,2-diamine (CID 103589931) is 4-fluoro-1-N,5-dimethyl-1-N-(2-methylbutyl)benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-1-N,5-dimethyl-1-N-(2-methylbutyl)benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-1-N,5-dimethyl-1-N-(2-methylbutyl)benzene-1,2-diamine is CCC(C)CN(C)c1cc(C)c(F)cc1N.
What is the InChIKey of 4-fluoro-1-N,5-dimethyl-1-N-(2-methylbutyl)benzene-1,2-diamine?
The InChIKey is DJAIWIJSCXRNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-5-9(2)8-16(4)13-6-10(3)11(14)7-12(13)15/h6-7,9H,5,8,15H2,1-4H3.
What are the key properties of 4-fluoro-1-N,5-dimethyl-1-N-(2-methylbutyl)benzene-1,2-diamine?
4-fluoro-1-N,5-dimethyl-1-N-(2-methylbutyl)benzene-1,2-diamine has a molecular weight of 224.32 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-N,5-dimethyl-1-N-(2-methylbutyl)benzene-1,2-diamine is sourced from PubChem (CID 103589931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).