1-(2-bromo-3-chlorophenyl)-N-ethylpyrrolidin-3-amine

C12H16BrClN2 — CID 103480318

IUPAC1-(2-bromo-3-chlorophenyl)-N-ethylpyrrolidin-3-amine
SMILESCCNC1CCN(c2cccc(Cl)c2Br)C1
InChIInChI=1S/C12H16BrClN2/c1-2-15-9-6-7-16(8-9)11-5-3-4-10(14)12(11)13/h3-5,9,15H,2,6-8H2,1H3
InChIKeySHFBEITVQSFRER-UHFFFAOYSA-N
MW303.63 g/mol
LogP3.29
Rot. Bonds3

About 1-(2-bromo-3-chlorophenyl)-N-ethylpyrrolidin-3-amine

1-(2-bromo-3-chlorophenyl)-N-ethylpyrrolidin-3-amine (PubChem CID 103480318) has the molecular formula C12H16BrClN2 and a molecular weight of 303.63 g/mol. Its IUPAC name is 1-(2-bromo-3-chlorophenyl)-N-ethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2-bromo-3-chlorophenyl)-N-ethylpyrrolidin-3-amine
PubChem CID103480318
Molecular FormulaC12H16BrClN2
Molecular Weight303.63 g/mol
Exact Mass302.02
IUPAC Name1-(2-bromo-3-chlorophenyl)-N-ethylpyrrolidin-3-amine
SMILESCCNC1CCN(c2cccc(Cl)c2Br)C1
InChIInChI=1S/C12H16BrClN2/c1-2-15-9-6-7-16(8-9)11-5-3-4-10(14)12(11)13/h3-5,9,15H,2,6-8H2,1H3
InChIKeySHFBEITVQSFRER-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-[1-(2-bromo-3-chlorophenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 103480332
1-(4-bromo-3-chlorophenyl)-N-ethylpyrrolidin-3-amine
CID 107613078
1-(2-bromophenyl)-N-ethylpiperidin-4-amine
CID 60862139
N-ethyl-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 43315015
1-(4-bromo-2-ethylphenyl)-N-ethylpyrrolidin-3-amine
CID 81288727
1-[2-chloro-5-(trifluoromethyl)phenyl]-N-ethylpyrrolidin-3-amine
CID 60862803
1-(2-chlorophenyl)-N-ethyl-3-methylpiperidin-4-amine
CID 54975148
N-ethyl-1-(2-phenoxyphenyl)pyrrolidin-3-amine
CID 43315198
1-(2,3-dichlorophenyl)-N-ethyl-3-methylpiperidin-4-amine
CID 54975601
1-(2-chloro-6-methylphenyl)-N-ethylpiperidin-3-amine
CID 66251825
1-(3-chloro-2-fluorophenyl)-N-methylpyrrolidin-3-amine
CID 60862142
1-(2,4-dibromo-5-methoxyphenyl)-N-ethylpyrrolidin-3-amine
CID 103414484

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-chlorophenyl)-N-ethylpyrrolidin-3-amine?
The IUPAC name of 1-(2-bromo-3-chlorophenyl)-N-ethylpyrrolidin-3-amine (CID 103480318) is 1-(2-bromo-3-chlorophenyl)-N-ethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(2-bromo-3-chlorophenyl)-N-ethylpyrrolidin-3-amine?
The canonical SMILES for 1-(2-bromo-3-chlorophenyl)-N-ethylpyrrolidin-3-amine is CCNC1CCN(c2cccc(Cl)c2Br)C1.
What is the InChIKey of 1-(2-bromo-3-chlorophenyl)-N-ethylpyrrolidin-3-amine?
The InChIKey is SHFBEITVQSFRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2/c1-2-15-9-6-7-16(8-9)11-5-3-4-10(14)12(11)13/h3-5,9,15H,2,6-8H2,1H3.
What are the key properties of 1-(2-bromo-3-chlorophenyl)-N-ethylpyrrolidin-3-amine?
1-(2-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-(2-bromo-3-chlorophenyl)-N-ethylpyrrolidin-3-amine is sourced from PubChem (CID 103480318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).