4-(2-aminopropyl)-3-bromo-N,N-dimethylaniline;dihydrochloride

C11H19BrCl2N2 — CID 3043617

IUPAC4-(2-aminopropyl)-3-bromo-N,N-dimethylaniline;dihydrochloride
SMILESCC(N)Cc1ccc(N(C)C)cc1Br.Cl.Cl
InChIInChI=1S/C11H17BrN2.2ClH/c1-8(13)6-9-4-5-10(14(2)3)7-11(9)12;;/h4-5,7-8H,6,13H2,1-3H3;2*1H
InChIKeyUYKVCEFSIRLICW-UHFFFAOYSA-N
MW330.10 g/mol
LogP3.25
Rot. Bonds3

About 4-(2-aminopropyl)-3-bromo-N,N-dimethylaniline;dihydrochloride

4-(2-aminopropyl)-3-bromo-N,N-dimethylaniline;dihydrochloride (PubChem CID 3043617) has the molecular formula C11H19BrCl2N2 and a molecular weight of 330.10 g/mol. Its IUPAC name is 4-(2-aminopropyl)-3-bromo-N,N-dimethylaniline;dihydrochloride.

Molecular Properties

Compound Name4-(2-aminopropyl)-3-bromo-N,N-dimethylaniline;dihydrochloride
PubChem CID3043617
Molecular FormulaC11H19BrCl2N2
Molecular Weight330.10 g/mol
Exact Mass328.01
IUPAC Name4-(2-aminopropyl)-3-bromo-N,N-dimethylaniline;dihydrochloride
SMILESCC(N)Cc1ccc(N(C)C)cc1Br.Cl.Cl
InChIInChI=1S/C11H17BrN2.2ClH/c1-8(13)6-9-4-5-10(14(2)3)7-11(9)12;;/h4-5,7-8H,6,13H2,1-3H3;2*1H
InChIKeyUYKVCEFSIRLICW-UHFFFAOYSA-N
XLogP3.25
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.10
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2-aminopropyl)-3-bromo-N,N-dimethylaniline;dihydrochloride 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-(2-aminopropyl)-3-bromo-N,N-dimethylaniline;dihydrochloride?
The IUPAC name of 4-(2-aminopropyl)-3-bromo-N,N-dimethylaniline;dihydrochloride (CID 3043617) is 4-(2-aminopropyl)-3-bromo-N,N-dimethylaniline;dihydrochloride.
What is the SMILES notation for 4-(2-aminopropyl)-3-bromo-N,N-dimethylaniline;dihydrochloride?
The canonical SMILES for 4-(2-aminopropyl)-3-bromo-N,N-dimethylaniline;dihydrochloride is CC(N)Cc1ccc(N(C)C)cc1Br.Cl.Cl.
What is the InChIKey of 4-(2-aminopropyl)-3-bromo-N,N-dimethylaniline;dihydrochloride?
The InChIKey is UYKVCEFSIRLICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2.2ClH/c1-8(13)6-9-4-5-10(14(2)3)7-11(9)12;;/h4-5,7-8H,6,13H2,1-3H3;2*1H.
What are the key properties of 4-(2-aminopropyl)-3-bromo-N,N-dimethylaniline;dihydrochloride?
4-(2-aminopropyl)-3-bromo-N,N-dimethylaniline;dihydrochloride has a molecular weight of 330.10 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-3-bromo-N,N-dimethylaniline;dihydrochloride is sourced from PubChem (CID 3043617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).