1-[1-[1-(2-bromophenyl)ethyl]pyrrolidin-3-yl]ethanamine

C14H21BrN2 — CID 112630248

IUPAC1-[1-[1-(2-bromophenyl)ethyl]pyrrolidin-3-yl]ethanamine
SMILESCC(N)C1CCN(C(C)c2ccccc2Br)C1
InChIInChI=1S/C14H21BrN2/c1-10(16)12-7-8-17(9-12)11(2)13-5-3-4-6-14(13)15/h3-6,10-12H,7-9,16H2,1-2H3
InChIKeyLUGLQSDIIPGQHP-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.18
Rot. Bonds3

About 1-[1-[1-(2-bromophenyl)ethyl]pyrrolidin-3-yl]ethanamine

1-[1-[1-(2-bromophenyl)ethyl]pyrrolidin-3-yl]ethanamine (PubChem CID 112630248) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 1-[1-[1-(2-bromophenyl)ethyl]pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[1-(2-bromophenyl)ethyl]pyrrolidin-3-yl]ethanamine
PubChem CID112630248
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name1-[1-[1-(2-bromophenyl)ethyl]pyrrolidin-3-yl]ethanamine
SMILESCC(N)C1CCN(C(C)c2ccccc2Br)C1
InChIInChI=1S/C14H21BrN2/c1-10(16)12-7-8-17(9-12)11(2)13-5-3-4-6-14(13)15/h3-6,10-12H,7-9,16H2,1-2H3
InChIKeyLUGLQSDIIPGQHP-UHFFFAOYSA-N
XLogP3.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[1-[1-(2-bromophenyl)ethyl]pyrrolidin-3-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-[1-[1-(2-methoxyphenyl)ethyl]pyrrolidin-3-yl]ethanamine
CID 103975586
1-[1-(2-bromophenyl)ethyl]azetidin-3-amine
CID 65244722
1-[1-(2-bromophenyl)ethyl]-4-(trifluoromethyl)piperidine
CID 169409815
1-[1-[1-(2,4-dichlorophenyl)ethyl]pyrrolidin-3-yl]ethanamine
CID 112630096
1-[1-[1-(2,5-dimethoxyphenyl)ethyl]pyrrolidin-3-yl]ethanamine
CID 103975552
1-[1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanamine
CID 103975488
1-[1-[1-(4-bromo-2-fluorophenyl)ethyl]piperidin-3-yl]ethanamine
CID 82970687
1-[1-[1-(3,5-difluorophenyl)ethyl]pyrrolidin-3-yl]ethanamine
CID 103975691
3-[1-[1-(2-bromophenyl)ethyl]piperidin-4-yl]oxypropan-1-amine
CID 79732026
1-(2-bromophenyl)-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-amine
CID 79165611
(1R)-1-[(3R)-1-propan-2-ylpyrrolidin-3-yl]ethanamine
CID 140940785
(3R)-1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-3-(2-bromophenyl)butan-1-one
CID 124592419

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(2-bromophenyl)ethyl]pyrrolidin-3-yl]ethanamine?
The IUPAC name of 1-[1-[1-(2-bromophenyl)ethyl]pyrrolidin-3-yl]ethanamine (CID 112630248) is 1-[1-[1-(2-bromophenyl)ethyl]pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-[1-(2-bromophenyl)ethyl]pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-[1-(2-bromophenyl)ethyl]pyrrolidin-3-yl]ethanamine is CC(N)C1CCN(C(C)c2ccccc2Br)C1.
What is the InChIKey of 1-[1-[1-(2-bromophenyl)ethyl]pyrrolidin-3-yl]ethanamine?
The InChIKey is LUGLQSDIIPGQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-10(16)12-7-8-17(9-12)11(2)13-5-3-4-6-14(13)15/h3-6,10-12H,7-9,16H2,1-2H3.
What are the key properties of 1-[1-[1-(2-bromophenyl)ethyl]pyrrolidin-3-yl]ethanamine?
1-[1-[1-(2-bromophenyl)ethyl]pyrrolidin-3-yl]ethanamine has a molecular weight of 297.24 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(2-bromophenyl)ethyl]pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 112630248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).