4-bromo-2-N-(4-methylpentan-2-yl)benzene-1,2-diamine

C12H19BrN2 — CID 65343468

IUPAC4-bromo-2-N-(4-methylpentan-2-yl)benzene-1,2-diamine
SMILESCC(C)CC(C)Nc1cc(Br)ccc1N
InChIInChI=1S/C12H19BrN2/c1-8(2)6-9(3)15-12-7-10(13)4-5-11(12)14/h4-5,7-9,15H,6,14H2,1-3H3
InChIKeyWENKJEKJVQYMCM-UHFFFAOYSA-N
MW271.20 g/mol
LogP3.88
Rot. Bonds4

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

4-bromo-2-N-(4-methylpentan-2-yl)benzene-1,2-diamine (PubChem CID 65343468) has the molecular formula C12H19BrN2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 4-bromo-2-N-(4-methylpentan-2-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-2-N-(4-methylpentan-2-yl)benzene-1,2-diamine
PubChem CID65343468
Molecular FormulaC12H19BrN2
Molecular Weight271.20 g/mol
Exact Mass270.07
IUPAC Name4-bromo-2-N-(4-methylpentan-2-yl)benzene-1,2-diamine
SMILESCC(C)CC(C)Nc1cc(Br)ccc1N
InChIInChI=1S/C12H19BrN2/c1-8(2)6-9(3)15-12-7-10(13)4-5-11(12)14/h4-5,7-9,15H,6,14H2,1-3H3
InChIKeyWENKJEKJVQYMCM-UHFFFAOYSA-N
XLogP3.88
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-bromo-2-N-(4-methylpentan-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

Related Compounds

4-bromo-2-N-(4-phenylbutan-2-yl)benzene-1,2-diamine
CID 65342611
4-amino-3-(4-methylpentan-2-ylamino)benzenesulfonamide
CID 82907687
5-bromo-2-(4-methylpentan-2-ylamino)benzoic acid
CID 114895457
4-amino-N-ethyl-3-(4-methylpentan-2-ylamino)benzamide
CID 55189478
4-bromo-2-N-(2-methylbutyl)benzene-1,2-diamine
CID 65342354
4-(2-amino-5-bromoanilino)butan-2-ol
CID 65342417
4-bromo-2-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzene-1,2-diamine
CID 65343083
4-bromo-2-N-propylbenzene-1,2-diamine
CID 65343342
3-amino-4-(4-methylpentan-2-ylamino)benzenesulfonamide
CID 43372059
4-bromo-2-N-(1-thiophen-2-ylpropyl)benzene-1,2-diamine
CID 65343285
2-(2-amino-5-bromoanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 113408314
4-bromo-2-N-(2-propan-2-yloxyethyl)benzene-1,2-diamine;ethane
CID 145256343

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-N-(4-methylpentan-2-yl)benzene-1,2-diamine?
The IUPAC name of 4-bromo-2-N-(4-methylpentan-2-yl)benzene-1,2-diamine (CID 65343468) is 4-bromo-2-N-(4-methylpentan-2-yl)benzene-1,2-diamine.
What is the SMILES notation for 4-bromo-2-N-(4-methylpentan-2-yl)benzene-1,2-diamine?
The canonical SMILES for 4-bromo-2-N-(4-methylpentan-2-yl)benzene-1,2-diamine is CC(C)CC(C)Nc1cc(Br)ccc1N.
What is the InChIKey of 4-bromo-2-N-(4-methylpentan-2-yl)benzene-1,2-diamine?
The InChIKey is WENKJEKJVQYMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2/c1-8(2)6-9(3)15-12-7-10(13)4-5-11(12)14/h4-5,7-9,15H,6,14H2,1-3H3.
What are the key properties of 4-bromo-2-N-(4-methylpentan-2-yl)benzene-1,2-diamine?
4-bromo-2-N-(4-methylpentan-2-yl)benzene-1,2-diamine has a molecular weight of 271.20 g/mol, XLogP of 3.88, 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-(4-methylpentan-2-yl)benzene-1,2-diamine is sourced from PubChem (CID 65343468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).