4-fluoro-2-N-methyl-2-N-(3-methylbutan-2-yl)benzene-1,2-diamine

C12H19FN2 — CID 62378498

IUPAC4-fluoro-2-N-methyl-2-N-(3-methylbutan-2-yl)benzene-1,2-diamine
SMILESCC(C)C(C)N(C)c1cc(F)ccc1N
InChIInChI=1S/C12H19FN2/c1-8(2)9(3)15(4)12-7-10(13)5-6-11(12)14/h5-9H,14H2,1-4H3
InChIKeyYDONTHNMWBWADQ-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.89
Rot. Bonds3

About 4-fluoro-2-N-methyl-2-N-(3-methylbutan-2-yl)benzene-1,2-diamine

4-fluoro-2-N-methyl-2-N-(3-methylbutan-2-yl)benzene-1,2-diamine (PubChem CID 62378498) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is 4-fluoro-2-N-methyl-2-N-(3-methylbutan-2-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-2-N-methyl-2-N-(3-methylbutan-2-yl)benzene-1,2-diamine
PubChem CID62378498
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name4-fluoro-2-N-methyl-2-N-(3-methylbutan-2-yl)benzene-1,2-diamine
SMILESCC(C)C(C)N(C)c1cc(F)ccc1N
InChIInChI=1S/C12H19FN2/c1-8(2)9(3)15(4)12-7-10(13)5-6-11(12)14/h5-9H,14H2,1-4H3
InChIKeyYDONTHNMWBWADQ-UHFFFAOYSA-N
XLogP2.89
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-fluoro-2-N-methyl-2-N-(3-methylbutan-2-yl)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

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-N-methyl-2-N-(3-methylbutan-2-yl)benzene-1,2-diamine?
The IUPAC name of 4-fluoro-2-N-methyl-2-N-(3-methylbutan-2-yl)benzene-1,2-diamine (CID 62378498) is 4-fluoro-2-N-methyl-2-N-(3-methylbutan-2-yl)benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-2-N-methyl-2-N-(3-methylbutan-2-yl)benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-2-N-methyl-2-N-(3-methylbutan-2-yl)benzene-1,2-diamine is CC(C)C(C)N(C)c1cc(F)ccc1N.
What is the InChIKey of 4-fluoro-2-N-methyl-2-N-(3-methylbutan-2-yl)benzene-1,2-diamine?
The InChIKey is YDONTHNMWBWADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-8(2)9(3)15(4)12-7-10(13)5-6-11(12)14/h5-9H,14H2,1-4H3.
What are the key properties of 4-fluoro-2-N-methyl-2-N-(3-methylbutan-2-yl)benzene-1,2-diamine?
4-fluoro-2-N-methyl-2-N-(3-methylbutan-2-yl)benzene-1,2-diamine has a molecular weight of 210.30 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-N-methyl-2-N-(3-methylbutan-2-yl)benzene-1,2-diamine is sourced from PubChem (CID 62378498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).