2-(4-bromophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine

C15H23BrN2 — CID 10470688

IUPAC2-(4-bromophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine
SMILESCN(CCc1ccc(Br)cc1)CCN1CCCC1
InChIInChI=1S/C15H23BrN2/c1-17(12-13-18-9-2-3-10-18)11-8-14-4-6-15(16)7-5-14/h4-7H,2-3,8-13H2,1H3
InChIKeyHCSRVOVZDXILGK-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.02
Rot. Bonds6

About 2-(4-bromophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine

2-(4-bromophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine (PubChem CID 10470688) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine
PubChem CID10470688
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name2-(4-bromophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine
SMILESCN(CCc1ccc(Br)cc1)CCN1CCCC1
InChIInChI=1S/C15H23BrN2/c1-17(12-13-18-9-2-3-10-18)11-8-14-4-6-15(16)7-5-14/h4-7H,2-3,8-13H2,1H3
InChIKeyHCSRVOVZDXILGK-UHFFFAOYSA-N
XLogP3.02
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine 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 2-(4-bromophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine?
The IUPAC name of 2-(4-bromophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine (CID 10470688) is 2-(4-bromophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine?
The canonical SMILES for 2-(4-bromophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine is CN(CCc1ccc(Br)cc1)CCN1CCCC1.
What is the InChIKey of 2-(4-bromophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine?
The InChIKey is HCSRVOVZDXILGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-17(12-13-18-9-2-3-10-18)11-8-14-4-6-15(16)7-5-14/h4-7H,2-3,8-13H2,1H3.
What are the key properties of 2-(4-bromophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine?
2-(4-bromophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine has a molecular weight of 311.27 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine is sourced from PubChem (CID 10470688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).