4-(1-amino-2,2-dimethylpropyl)-2-bromoaniline

C11H17BrN2 — CID 130043041

IUPAC4-(1-amino-2,2-dimethylpropyl)-2-bromoaniline
SMILESCC(C)(C)C(N)c1ccc(N)c(Br)c1
InChIInChI=1S/C11H17BrN2/c1-11(2,3)10(14)7-4-5-9(13)8(12)6-7/h4-6,10H,13-14H2,1-3H3
InChIKeyTUJSAEHDPRXFEC-UHFFFAOYSA-N
MW257.18 g/mol
LogP3.08
Rot. Bonds1

About 4-(1-amino-2,2-dimethylpropyl)-2-bromoaniline

4-(1-amino-2,2-dimethylpropyl)-2-bromoaniline (PubChem CID 130043041) has the molecular formula C11H17BrN2 and a molecular weight of 257.18 g/mol. Its IUPAC name is 4-(1-amino-2,2-dimethylpropyl)-2-bromoaniline.

Molecular Properties

Compound Name4-(1-amino-2,2-dimethylpropyl)-2-bromoaniline
PubChem CID130043041
Molecular FormulaC11H17BrN2
Molecular Weight257.18 g/mol
Exact Mass256.06
IUPAC Name4-(1-amino-2,2-dimethylpropyl)-2-bromoaniline
SMILESCC(C)(C)C(N)c1ccc(N)c(Br)c1
InChIInChI=1S/C11H17BrN2/c1-11(2,3)10(14)7-4-5-9(13)8(12)6-7/h4-6,10H,13-14H2,1-3H3
InChIKeyTUJSAEHDPRXFEC-UHFFFAOYSA-N
XLogP3.08
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.18
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(1-amino-2,2-dimethylpropyl)-2-bromoaniline 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

(1R)-1-(3-bromo-4-methylphenyl)-2,2-dimethylpropan-1-amine
CID 130731554
(1S)-1-(4-bromo-3-iodophenyl)-2,2-dimethylpropan-1-amine
CID 130634470
(2R)-2-amino-2-(4-amino-3-bromophenyl)ethanol
CID 131128793
5-(1-amino-2,2-dimethylpropyl)-2-chloroaniline
CID 130042351
(1S)-1-(4-amino-3-bromophenyl)ethane-1,2-diamine
CID 130674111
1-(3-bromo-4-ethoxyphenyl)-2,2-dimethylpropan-1-amine
CID 104657289
4-[(1R)-1-amino-2,2-dimethylpropyl]-2,6-dibromophenol;hydrochloride
CID 171246271
4-(1-amino-2,2-dimethylpropyl)aniline
CID 70658463
2-(1-amino-2,2-dimethylpropyl)-4-iodoaniline
CID 130042651
3-(4-amino-3-bromophenyl)-2,3-dihydroxypropanamide
CID 171869258
4-[(1R)-1-amino-2,2-dimethylpropyl]benzene-1,2-diol;hydrochloride
CID 171245558
4-[(1S)-1-amino-2,2-dimethylpropyl]benzene-1,2-diol;hydrochloride
CID 171238841

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-2,2-dimethylpropyl)-2-bromoaniline?
The IUPAC name of 4-(1-amino-2,2-dimethylpropyl)-2-bromoaniline (CID 130043041) is 4-(1-amino-2,2-dimethylpropyl)-2-bromoaniline.
What is the SMILES notation for 4-(1-amino-2,2-dimethylpropyl)-2-bromoaniline?
The canonical SMILES for 4-(1-amino-2,2-dimethylpropyl)-2-bromoaniline is CC(C)(C)C(N)c1ccc(N)c(Br)c1.
What is the InChIKey of 4-(1-amino-2,2-dimethylpropyl)-2-bromoaniline?
The InChIKey is TUJSAEHDPRXFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2/c1-11(2,3)10(14)7-4-5-9(13)8(12)6-7/h4-6,10H,13-14H2,1-3H3.
What are the key properties of 4-(1-amino-2,2-dimethylpropyl)-2-bromoaniline?
4-(1-amino-2,2-dimethylpropyl)-2-bromoaniline has a molecular weight of 257.18 g/mol, XLogP of 3.08, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-2,2-dimethylpropyl)-2-bromoaniline is sourced from PubChem (CID 130043041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).