2-(2-bromophenyl)-2-(3-phenylpyrrolidin-1-yl)ethanamine

C18H21BrN2 — CID 62133000

IUPAC2-(2-bromophenyl)-2-(3-phenylpyrrolidin-1-yl)ethanamine
SMILESNCC(c1ccccc1Br)N1CCC(c2ccccc2)C1
InChIInChI=1S/C18H21BrN2/c19-17-9-5-4-8-16(17)18(12-20)21-11-10-15(13-21)14-6-2-1-3-7-14/h1-9,15,18H,10-13,20H2
InChIKeySFXQYBZUMXPLSI-UHFFFAOYSA-N
MW345.28 g/mol
LogP3.94
Rot. Bonds4

About 2-(2-bromophenyl)-2-(3-phenylpyrrolidin-1-yl)ethanamine

2-(2-bromophenyl)-2-(3-phenylpyrrolidin-1-yl)ethanamine (PubChem CID 62133000) has the molecular formula C18H21BrN2 and a molecular weight of 345.28 g/mol. Its IUPAC name is 2-(2-bromophenyl)-2-(3-phenylpyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-2-(3-phenylpyrrolidin-1-yl)ethanamine
PubChem CID62133000
Molecular FormulaC18H21BrN2
Molecular Weight345.28 g/mol
Exact Mass344.09
IUPAC Name2-(2-bromophenyl)-2-(3-phenylpyrrolidin-1-yl)ethanamine
SMILESNCC(c1ccccc1Br)N1CCC(c2ccccc2)C1
InChIInChI=1S/C18H21BrN2/c19-17-9-5-4-8-16(17)18(12-20)21-11-10-15(13-21)14-6-2-1-3-7-14/h1-9,15,18H,10-13,20H2
InChIKeySFXQYBZUMXPLSI-UHFFFAOYSA-N
XLogP3.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-bromophenyl)-2-(3-phenylpyrrolidin-1-yl)ethanamine 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

[1-[2-amino-1-(2-bromophenyl)ethyl]piperidin-4-yl]methanol
CID 55022489
2-(3-phenylpyrrolidin-1-yl)-2-pyridin-2-ylethanamine
CID 62132461
2-(2-bromophenyl)-2-(2-ethylmorpholin-4-yl)ethanamine
CID 43562548
2-(3-phenylpyrrolidin-1-yl)-2-pyrimidin-4-ylethanamine
CID 63984471
2-(3-methylimidazol-4-yl)-2-(3-phenylpyrrolidin-1-yl)ethanamine
CID 66119616
2-[1-(3-phenylpyrrolidin-1-yl)propyl]phenol
CID 82957556
3-phenyl-1-propan-2-ylpyrrolidine
CID 3447557
N-[[1-[2-amino-1-(2-bromophenyl)ethyl]piperidin-4-yl]methyl]acetamide
CID 102736044
4-amino-2-(3-phenylpyrrolidin-1-yl)butanoic acid
CID 64693583
4-ethylsulfanyl-2-(3-phenylpyrrolidin-1-yl)butan-1-amine
CID 116504085
3-(3-phenylpyrrolidin-1-yl)butan-2-ol
CID 62133226
4-[2-amino-1-(2-bromophenyl)ethyl]piperazine-2,6-dione
CID 66084652

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-2-(3-phenylpyrrolidin-1-yl)ethanamine?
The IUPAC name of 2-(2-bromophenyl)-2-(3-phenylpyrrolidin-1-yl)ethanamine (CID 62133000) is 2-(2-bromophenyl)-2-(3-phenylpyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-2-(3-phenylpyrrolidin-1-yl)ethanamine?
The canonical SMILES for 2-(2-bromophenyl)-2-(3-phenylpyrrolidin-1-yl)ethanamine is NCC(c1ccccc1Br)N1CCC(c2ccccc2)C1.
What is the InChIKey of 2-(2-bromophenyl)-2-(3-phenylpyrrolidin-1-yl)ethanamine?
The InChIKey is SFXQYBZUMXPLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2/c19-17-9-5-4-8-16(17)18(12-20)21-11-10-15(13-21)14-6-2-1-3-7-14/h1-9,15,18H,10-13,20H2.
What are the key properties of 2-(2-bromophenyl)-2-(3-phenylpyrrolidin-1-yl)ethanamine?
2-(2-bromophenyl)-2-(3-phenylpyrrolidin-1-yl)ethanamine has a molecular weight of 345.28 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-2-(3-phenylpyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 62133000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).