N-[[1-(5-bromo-2-chlorophenyl)pyrrolidin-3-yl]methyl]ethanamine

C13H18BrClN2 — CID 62914683

IUPACN-[[1-(5-bromo-2-chlorophenyl)pyrrolidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCN(c2cc(Br)ccc2Cl)C1
InChIInChI=1S/C13H18BrClN2/c1-2-16-8-10-5-6-17(9-10)13-7-11(14)3-4-12(13)15/h3-4,7,10,16H,2,5-6,8-9H2,1H3
InChIKeyMGYPZBAJHRUKHZ-UHFFFAOYSA-N
MW317.66 g/mol
LogP3.54
Rot. Bonds4

About N-[[1-(5-bromo-2-chlorophenyl)pyrrolidin-3-yl]methyl]ethanamine

N-[[1-(5-bromo-2-chlorophenyl)pyrrolidin-3-yl]methyl]ethanamine (PubChem CID 62914683) has the molecular formula C13H18BrClN2 and a molecular weight of 317.66 g/mol. Its IUPAC name is N-[[1-(5-bromo-2-chlorophenyl)pyrrolidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(5-bromo-2-chlorophenyl)pyrrolidin-3-yl]methyl]ethanamine
PubChem CID62914683
Molecular FormulaC13H18BrClN2
Molecular Weight317.66 g/mol
Exact Mass316.03
IUPAC NameN-[[1-(5-bromo-2-chlorophenyl)pyrrolidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCN(c2cc(Br)ccc2Cl)C1
InChIInChI=1S/C13H18BrClN2/c1-2-16-8-10-5-6-17(9-10)13-7-11(14)3-4-12(13)15/h3-4,7,10,16H,2,5-6,8-9H2,1H3
InChIKeyMGYPZBAJHRUKHZ-UHFFFAOYSA-N
XLogP3.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.66
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[1-(5-bromo-2-chlorophenyl)pyrrolidin-3-yl]methyl]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

N-[[1-(2-chloro-5-methoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 62513267
N-[[1-(3,4-dichlorophenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 54792830
N-[[1-(2-chloro-5-methylphenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 107636404
1-(5-bromo-2-chlorophenyl)-N-ethyl-3-methylpiperidin-4-amine
CID 62915942
N-[[1-(4-bromo-2-chlorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62512586
[1-(4-bromo-2-chlorophenyl)pyrrolidin-3-yl]methanol
CID 64863673
N-[[1-[(4-bromo-2-chlorophenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 115741530
1-[1-(4-bromo-2-methylphenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62511575
N-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 54792763
N-[[5-chloro-2-(3-propylpyrrolidin-1-yl)phenyl]methyl]ethanamine
CID 114853511
N-[[1-[1-(4-bromo-2-chlorophenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 82778922
N-[[1-(2-chloro-4,6-difluorophenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 83088385

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-bromo-2-chlorophenyl)pyrrolidin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(5-bromo-2-chlorophenyl)pyrrolidin-3-yl]methyl]ethanamine (CID 62914683) is N-[[1-(5-bromo-2-chlorophenyl)pyrrolidin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(5-bromo-2-chlorophenyl)pyrrolidin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(5-bromo-2-chlorophenyl)pyrrolidin-3-yl]methyl]ethanamine is CCNCC1CCN(c2cc(Br)ccc2Cl)C1.
What is the InChIKey of N-[[1-(5-bromo-2-chlorophenyl)pyrrolidin-3-yl]methyl]ethanamine?
The InChIKey is MGYPZBAJHRUKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrClN2/c1-2-16-8-10-5-6-17(9-10)13-7-11(14)3-4-12(13)15/h3-4,7,10,16H,2,5-6,8-9H2,1H3.
What are the key properties of N-[[1-(5-bromo-2-chlorophenyl)pyrrolidin-3-yl]methyl]ethanamine?
N-[[1-(5-bromo-2-chlorophenyl)pyrrolidin-3-yl]methyl]ethanamine has a molecular weight of 317.66 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-bromo-2-chlorophenyl)pyrrolidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 62914683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).