4-fluoro-2-N,5-dimethylbenzene-1,2-diamine

C8H11FN2 — CID 123370142

IUPAC4-fluoro-2-N,5-dimethylbenzene-1,2-diamine
SMILESCNc1cc(F)c(C)cc1N
InChIInChI=1S/C8H11FN2/c1-5-3-7(10)8(11-2)4-6(5)9/h3-4,11H,10H2,1-2H3
InChIKeyKQMMOUMDBUMZTF-UHFFFAOYSA-N
MW154.19 g/mol
LogP1.76
Rot. Bonds1

About 4-fluoro-2-N,5-dimethylbenzene-1,2-diamine

4-fluoro-2-N,5-dimethylbenzene-1,2-diamine (PubChem CID 123370142) has the molecular formula C8H11FN2 and a molecular weight of 154.19 g/mol. Its IUPAC name is 4-fluoro-2-N,5-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-2-N,5-dimethylbenzene-1,2-diamine
PubChem CID123370142
Molecular FormulaC8H11FN2
Molecular Weight154.19 g/mol
Exact Mass154.09
IUPAC Name4-fluoro-2-N,5-dimethylbenzene-1,2-diamine
SMILESCNc1cc(F)c(C)cc1N
InChIInChI=1S/C8H11FN2/c1-5-3-7(10)8(11-2)4-6(5)9/h3-4,11H,10H2,1-2H3
InChIKeyKQMMOUMDBUMZTF-UHFFFAOYSA-N
XLogP1.76
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-(4-bromo-3,5-dimethylphenyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 107571396
2,3,5-trifluoro-1-N-methylbenzene-1,4-diamine
CID 18457361
4-fluoro-5-methyl-1-N-(2,2,3,3-tetramethylcyclopropyl)benzene-1,2-diamine
CID 103590549
4-fluoro-5-methyl-2-propan-2-ylaniline
CID 126643926
2-chloro-4-N,5-dimethylbenzene-1,4-diamine
CID 79006794
1-N-cyclopentyl-4-fluoro-5-methylbenzene-1,2-diamine
CID 103589776
1-N-(5-chloro-2-fluorophenyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103589946
4-fluoro-1-N-(2-fluoro-5-methylphenyl)-5-methylbenzene-1,2-diamine
CID 103589902
1-(2-amino-4-fluoro-5-methylanilino)-2-methylpropan-2-ol
CID 103590481
1-N-(3,5-dichlorophenyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103589866
6-N-(2,5-difluoro-4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine
CID 103584526
N'-(2-chloro-5-fluoro-4-methylphenyl)methanediamine
CID 115225495

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-N,5-dimethylbenzene-1,2-diamine?
The IUPAC name of 4-fluoro-2-N,5-dimethylbenzene-1,2-diamine (CID 123370142) is 4-fluoro-2-N,5-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-2-N,5-dimethylbenzene-1,2-diamine?
The canonical SMILES for 4-fluoro-2-N,5-dimethylbenzene-1,2-diamine is CNc1cc(F)c(C)cc1N.
What is the InChIKey of 4-fluoro-2-N,5-dimethylbenzene-1,2-diamine?
The InChIKey is KQMMOUMDBUMZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2/c1-5-3-7(10)8(11-2)4-6(5)9/h3-4,11H,10H2,1-2H3.
What are the key properties of 4-fluoro-2-N,5-dimethylbenzene-1,2-diamine?
4-fluoro-2-N,5-dimethylbenzene-1,2-diamine has a molecular weight of 154.19 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-N,5-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 123370142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).