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

C12H16BrClN2 — CID 107613078

IUPAC1-(4-bromo-3-chlorophenyl)-N-ethylpyrrolidin-3-amine
SMILESCCNC1CCN(c2ccc(Br)c(Cl)c2)C1
InChIInChI=1S/C12H16BrClN2/c1-2-15-9-5-6-16(8-9)10-3-4-11(13)12(14)7-10/h3-4,7,9,15H,2,5-6,8H2,1H3
InChIKeyNVDVLGCBGCUXQW-UHFFFAOYSA-N
MW303.63 g/mol
LogP3.29
Rot. Bonds3

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

1-(4-bromo-3-chlorophenyl)-N-ethylpyrrolidin-3-amine (PubChem CID 107613078) has the molecular formula C12H16BrClN2 and a molecular weight of 303.63 g/mol. Its IUPAC name is 1-(4-bromo-3-chlorophenyl)-N-ethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(4-bromo-3-chlorophenyl)-N-ethylpyrrolidin-3-amine
PubChem CID107613078
Molecular FormulaC12H16BrClN2
Molecular Weight303.63 g/mol
Exact Mass302.02
IUPAC Name1-(4-bromo-3-chlorophenyl)-N-ethylpyrrolidin-3-amine
SMILESCCNC1CCN(c2ccc(Br)c(Cl)c2)C1
InChIInChI=1S/C12H16BrClN2/c1-2-15-9-5-6-16(8-9)10-3-4-11(13)12(14)7-10/h3-4,7,9,15H,2,5-6,8H2,1H3
InChIKeyNVDVLGCBGCUXQW-UHFFFAOYSA-N
XLogP3.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.63
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-3-chlorophenyl)-N-propylpyrrolidin-3-amine
CID 107613067
1-(4-bromo-3-chlorophenyl)-N-methylpiperidin-3-amine
CID 107617221
N-[[1-(4-bromo-3-chlorophenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 107613124
1-(2-bromo-3-chlorophenyl)-N-ethylpyrrolidin-3-amine
CID 103480318
1-(3,4-dichlorophenyl)-N-methylpyrrolidin-3-amine
CID 60860458
1-(3,5-dimethylphenyl)-N-ethylpyrrolidin-3-amine
CID 43315457
2-[[1-(3-chloro-4-methylphenyl)pyrrolidin-3-yl]amino]acetonitrile
CID 117004666
N-ethyl-1-(9H-fluoren-2-yl)pyrrolidin-3-amine
CID 43315115
N-ethyl-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 43315146
1-[4-chloro-3-(trifluoromethyl)phenyl]-N-propylpyrrolidin-3-amine
CID 60860952
1-(4-bromo-2-ethylphenyl)-N-ethylpyrrolidin-3-amine
CID 81288727
1-[2-chloro-5-(trifluoromethyl)phenyl]-N-ethylpyrrolidin-3-amine
CID 60862803

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chlorophenyl)-N-ethylpyrrolidin-3-amine?
The IUPAC name of 1-(4-bromo-3-chlorophenyl)-N-ethylpyrrolidin-3-amine (CID 107613078) is 1-(4-bromo-3-chlorophenyl)-N-ethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(4-bromo-3-chlorophenyl)-N-ethylpyrrolidin-3-amine?
The canonical SMILES for 1-(4-bromo-3-chlorophenyl)-N-ethylpyrrolidin-3-amine is CCNC1CCN(c2ccc(Br)c(Cl)c2)C1.
What is the InChIKey of 1-(4-bromo-3-chlorophenyl)-N-ethylpyrrolidin-3-amine?
The InChIKey is NVDVLGCBGCUXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2/c1-2-15-9-5-6-16(8-9)10-3-4-11(13)12(14)7-10/h3-4,7,9,15H,2,5-6,8H2,1H3.
What are the key properties of 1-(4-bromo-3-chlorophenyl)-N-ethylpyrrolidin-3-amine?
1-(4-bromo-3-chlorophenyl)-N-ethylpyrrolidin-3-amine has a molecular weight of 303.63 g/mol, XLogP of 3.29, 3 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-ethylpyrrolidin-3-amine is sourced from PubChem (CID 107613078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).