4-bromo-2-N-(2-methylbutyl)benzene-1,2-diamine

C11H17BrN2 — CID 65342354

IUPAC4-bromo-2-N-(2-methylbutyl)benzene-1,2-diamine
SMILESCCC(C)CNc1cc(Br)ccc1N
InChIInChI=1S/C11H17BrN2/c1-3-8(2)7-14-11-6-9(12)4-5-10(11)13/h4-6,8,14H,3,7,13H2,1-2H3
InChIKeyDZXFONWKPCFRER-UHFFFAOYSA-N
MW257.17 g/mol
LogP3.49
Rot. Bonds4

About 4-bromo-2-N-(2-methylbutyl)benzene-1,2-diamine

4-bromo-2-N-(2-methylbutyl)benzene-1,2-diamine (PubChem CID 65342354) has the molecular formula C11H17BrN2 and a molecular weight of 257.17 g/mol. Its IUPAC name is 4-bromo-2-N-(2-methylbutyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-2-N-(2-methylbutyl)benzene-1,2-diamine
PubChem CID65342354
Molecular FormulaC11H17BrN2
Molecular Weight257.17 g/mol
Exact Mass256.06
IUPAC Name4-bromo-2-N-(2-methylbutyl)benzene-1,2-diamine
SMILESCCC(C)CNc1cc(Br)ccc1N
InChIInChI=1S/C11H17BrN2/c1-3-8(2)7-14-11-6-9(12)4-5-10(11)13/h4-6,8,14H,3,7,13H2,1-2H3
InChIKeyDZXFONWKPCFRER-UHFFFAOYSA-N
XLogP3.49
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-bromo-2-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-(2-amino-5-bromoanilino)-3-methylbutan-1-ol
CID 66089189
2,4-dibromo-N-(2-methylbutyl)aniline
CID 43683023
4-bromo-2-N-(2-ethylhexyl)benzene-1,2-diamine
CID 114004564
4-bromo-2-N-propylbenzene-1,2-diamine
CID 65343342
methyl (2R)-3-(2-amino-5-bromoanilino)-2-methylpropanoate
CID 129386301
4-(2-amino-5-bromoanilino)butan-2-ol
CID 65342417
4-bromo-N-(2-methylbutyl)aniline
CID 43201294
2-amino-4-bromo-N-(2-methylbutyl)benzenesulfonamide
CID 62700584
2-bromo-4-methyl-N-(2-methylbutyl)aniline
CID 43111742
6-bromo-4-N-(2-methylbutyl)quinoline-3,4-diamine
CID 55186742
4-bromo-2-N-[(4-methylphenyl)methyl]benzene-1,2-diamine
CID 65343098
2-(2-amino-5-bromoanilino)-1-cyclopropylethanol
CID 65342466

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-N-(2-methylbutyl)benzene-1,2-diamine?
The IUPAC name of 4-bromo-2-N-(2-methylbutyl)benzene-1,2-diamine (CID 65342354) is 4-bromo-2-N-(2-methylbutyl)benzene-1,2-diamine.
What is the SMILES notation for 4-bromo-2-N-(2-methylbutyl)benzene-1,2-diamine?
The canonical SMILES for 4-bromo-2-N-(2-methylbutyl)benzene-1,2-diamine is CCC(C)CNc1cc(Br)ccc1N.
What is the InChIKey of 4-bromo-2-N-(2-methylbutyl)benzene-1,2-diamine?
The InChIKey is DZXFONWKPCFRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2/c1-3-8(2)7-14-11-6-9(12)4-5-10(11)13/h4-6,8,14H,3,7,13H2,1-2H3.
What are the key properties of 4-bromo-2-N-(2-methylbutyl)benzene-1,2-diamine?
4-bromo-2-N-(2-methylbutyl)benzene-1,2-diamine has a molecular weight of 257.17 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-N-(2-methylbutyl)benzene-1,2-diamine is sourced from PubChem (CID 65342354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).