5-(1-aminopropan-2-yl)-2-bromoaniline

C9H13BrN2 — CID 84692433

IUPAC5-(1-aminopropan-2-yl)-2-bromoaniline
SMILESCC(CN)c1ccc(Br)c(N)c1
InChIInChI=1S/C9H13BrN2/c1-6(5-11)7-2-3-8(10)9(12)4-7/h2-4,6H,5,11-12H2,1H3
InChIKeyDDYNNFLJZZDBBW-UHFFFAOYSA-N
MW229.12 g/mol
LogP2.09
Rot. Bonds2

About 5-(1-aminopropan-2-yl)-2-bromoaniline

5-(1-aminopropan-2-yl)-2-bromoaniline (PubChem CID 84692433) has the molecular formula C9H13BrN2 and a molecular weight of 229.12 g/mol. Its IUPAC name is 5-(1-aminopropan-2-yl)-2-bromoaniline.

Molecular Properties

Compound Name5-(1-aminopropan-2-yl)-2-bromoaniline
PubChem CID84692433
Molecular FormulaC9H13BrN2
Molecular Weight229.12 g/mol
Exact Mass228.03
IUPAC Name5-(1-aminopropan-2-yl)-2-bromoaniline
SMILESCC(CN)c1ccc(Br)c(N)c1
InChIInChI=1S/C9H13BrN2/c1-6(5-11)7-2-3-8(10)9(12)4-7/h2-4,6H,5,11-12H2,1H3
InChIKeyDDYNNFLJZZDBBW-UHFFFAOYSA-N
XLogP2.09
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(1-aminopropan-2-yl)-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

5-(1-aminopropan-2-yl)-2-chloroaniline
CID 84659886
3-(3-amino-4-bromophenyl)butanal
CID 117107539
(2S)-2-(4-bromophenyl)propan-1-amine
CID 23566380
5-[(1S)-1-aminopropyl]-2-bromoaniline
CID 130649492
2-(3-bromo-4-propan-2-ylsulfonylphenyl)propan-1-amine
CID 105424731
2-(3,4-dimethylphenyl)propan-1-amine
CID 43316823
2-(3-bromo-1-benzofuran-5-yl)propan-1-amine
CID 117388117
2-(2-bromo-4-pyridinyl)propan-1-amine
CID 87304996
5-[(1R)-1-aminobutyl]-2-bromoaniline
CID 131106140
2-(2-bromo-1-benzofuran-5-yl)propan-1-amine
CID 83900835
2-[3-bromo-4-(1,2,4-triazol-1-yl)phenyl]propan-1-amine
CID 117451104
2-(3-bromo-2,6-difluorophenyl)propan-1-amine
CID 106943854

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminopropan-2-yl)-2-bromoaniline?
The IUPAC name of 5-(1-aminopropan-2-yl)-2-bromoaniline (CID 84692433) is 5-(1-aminopropan-2-yl)-2-bromoaniline.
What is the SMILES notation for 5-(1-aminopropan-2-yl)-2-bromoaniline?
The canonical SMILES for 5-(1-aminopropan-2-yl)-2-bromoaniline is CC(CN)c1ccc(Br)c(N)c1.
What is the InChIKey of 5-(1-aminopropan-2-yl)-2-bromoaniline?
The InChIKey is DDYNNFLJZZDBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2/c1-6(5-11)7-2-3-8(10)9(12)4-7/h2-4,6H,5,11-12H2,1H3.
What are the key properties of 5-(1-aminopropan-2-yl)-2-bromoaniline?
5-(1-aminopropan-2-yl)-2-bromoaniline has a molecular weight of 229.12 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminopropan-2-yl)-2-bromoaniline is sourced from PubChem (CID 84692433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).