1-(4-bromo-3-chlorophenyl)-N-propylpyrrolidin-3-amine

C13H18BrClN2 — CID 107613067

IUPAC1-(4-bromo-3-chlorophenyl)-N-propylpyrrolidin-3-amine
SMILESCCCNC1CCN(c2ccc(Br)c(Cl)c2)C1
InChIInChI=1S/C13H18BrClN2/c1-2-6-16-10-5-7-17(9-10)11-3-4-12(14)13(15)8-11/h3-4,8,10,16H,2,5-7,9H2,1H3
InChIKeyMNKUUXNJHRDNSW-UHFFFAOYSA-N
MW317.66 g/mol
LogP3.68
Rot. Bonds4

About 1-(4-bromo-3-chlorophenyl)-N-propylpyrrolidin-3-amine

1-(4-bromo-3-chlorophenyl)-N-propylpyrrolidin-3-amine (PubChem CID 107613067) has the molecular formula C13H18BrClN2 and a molecular weight of 317.66 g/mol. Its IUPAC name is 1-(4-bromo-3-chlorophenyl)-N-propylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(4-bromo-3-chlorophenyl)-N-propylpyrrolidin-3-amine
PubChem CID107613067
Molecular FormulaC13H18BrClN2
Molecular Weight317.66 g/mol
Exact Mass316.03
IUPAC Name1-(4-bromo-3-chlorophenyl)-N-propylpyrrolidin-3-amine
SMILESCCCNC1CCN(c2ccc(Br)c(Cl)c2)C1
InChIInChI=1S/C13H18BrClN2/c1-2-6-16-10-5-7-17(9-10)11-3-4-12(14)13(15)8-11/h3-4,8,10,16H,2,5-7,9H2,1H3
InChIKeyMNKUUXNJHRDNSW-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-3-chlorophenyl)-N-ethylpyrrolidin-3-amine
CID 107613078
N-[[1-(4-bromo-3-chlorophenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 107613124
1-[4-chloro-3-(trifluoromethyl)phenyl]-N-propylpyrrolidin-3-amine
CID 60860952
1-(4-bromo-3-fluorophenyl)-N-propylpiperidin-3-amine
CID 65437234
N-propyl-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-3-amine
CID 63180231
1-(4-bromo-3-chlorophenyl)-N-methylpiperidin-3-amine
CID 107617221
1-[4-bromo-3-(trifluoromethyl)phenyl]-N-propylpiperidin-3-amine
CID 64855894
1-(2,5-dichlorophenyl)-N-propylpyrrolidin-3-amine
CID 60860793
2-[[1-(3-chloro-4-methylphenyl)pyrrolidin-3-yl]amino]acetonitrile
CID 117004666
1-(1-benzothiophen-5-yl)-N-propylpyrrolidin-3-amine
CID 65474122
1-(3-methylsulfanylphenyl)-N-propylpyrrolidin-3-amine
CID 60861118
N-propyl-1-(3,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 62809687

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chlorophenyl)-N-propylpyrrolidin-3-amine?
The IUPAC name of 1-(4-bromo-3-chlorophenyl)-N-propylpyrrolidin-3-amine (CID 107613067) is 1-(4-bromo-3-chlorophenyl)-N-propylpyrrolidin-3-amine.
What is the SMILES notation for 1-(4-bromo-3-chlorophenyl)-N-propylpyrrolidin-3-amine?
The canonical SMILES for 1-(4-bromo-3-chlorophenyl)-N-propylpyrrolidin-3-amine is CCCNC1CCN(c2ccc(Br)c(Cl)c2)C1.
What is the InChIKey of 1-(4-bromo-3-chlorophenyl)-N-propylpyrrolidin-3-amine?
The InChIKey is MNKUUXNJHRDNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrClN2/c1-2-6-16-10-5-7-17(9-10)11-3-4-12(14)13(15)8-11/h3-4,8,10,16H,2,5-7,9H2,1H3.
What are the key properties of 1-(4-bromo-3-chlorophenyl)-N-propylpyrrolidin-3-amine?
1-(4-bromo-3-chlorophenyl)-N-propylpyrrolidin-3-amine has a molecular weight of 317.66 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chlorophenyl)-N-propylpyrrolidin-3-amine is sourced from PubChem (CID 107613067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).