1-(4-bromo-2-chlorophenyl)-3-(2-ethylpyrrolidin-1-yl)-N-methylpropan-1-amine

C16H24BrClN2 — CID 82779580

IUPAC1-(4-bromo-2-chlorophenyl)-3-(2-ethylpyrrolidin-1-yl)-N-methylpropan-1-amine
SMILESCCC1CCCN1CCC(NC)c1ccc(Br)cc1Cl
InChIInChI=1S/C16H24BrClN2/c1-3-13-5-4-9-20(13)10-8-16(19-2)14-7-6-12(17)11-15(14)18/h6-7,11,13,16,19H,3-5,8-10H2,1-2H3
InChIKeyLIDJSPCFZGNIAS-UHFFFAOYSA-N
MW359.74 g/mol
LogP4.63
Rot. Bonds6

About 1-(4-bromo-2-chlorophenyl)-3-(2-ethylpyrrolidin-1-yl)-N-methylpropan-1-amine

1-(4-bromo-2-chlorophenyl)-3-(2-ethylpyrrolidin-1-yl)-N-methylpropan-1-amine (PubChem CID 82779580) has the molecular formula C16H24BrClN2 and a molecular weight of 359.74 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-3-(2-ethylpyrrolidin-1-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-3-(2-ethylpyrrolidin-1-yl)-N-methylpropan-1-amine
PubChem CID82779580
Molecular FormulaC16H24BrClN2
Molecular Weight359.74 g/mol
Exact Mass358.08
IUPAC Name1-(4-bromo-2-chlorophenyl)-3-(2-ethylpyrrolidin-1-yl)-N-methylpropan-1-amine
SMILESCCC1CCCN1CCC(NC)c1ccc(Br)cc1Cl
InChIInChI=1S/C16H24BrClN2/c1-3-13-5-4-9-20(13)10-8-16(19-2)14-7-6-12(17)11-15(14)18/h6-7,11,13,16,19H,3-5,8-10H2,1-2H3
InChIKeyLIDJSPCFZGNIAS-UHFFFAOYSA-N
XLogP4.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.74
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-3-(2-ethylazepan-1-yl)-N-methylpropan-1-amine
CID 104691933
1-(4-bromo-2-chlorophenyl)-3-(2,2-dimethylpyrrolidin-1-yl)-N-methylpropan-1-amine
CID 82781367
[1-[3-(2-chlorophenyl)-3-(methylamino)propyl]azepan-2-yl]methanol
CID 116638092
1-(4-bromo-2-chlorophenyl)-3-(3-ethylmorpholin-4-yl)propan-1-amine
CID 82779969
1-(4-bromo-2-chlorophenyl)-N-propyl-3-pyrrolidin-1-ylpropan-1-amine
CID 82779326
1-(4-bromo-2-chlorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-ol
CID 82781078
1-(4-bromo-2-chlorophenyl)-2-cyclohexyl-N-methylethanamine
CID 115841909
1-(4-bromo-2-chlorophenyl)-N-methylundecan-1-amine
CID 115845773
1-(4-bromophenyl)-3-(2-ethylpyrrolidin-1-yl)propan-1-ol
CID 62619666
[1-[3-(4-bromophenyl)-3-(methylamino)propyl]piperidin-2-yl]methanol
CID 62617417
1-(4-bromo-2-chlorophenyl)-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 82780041
1-(4-bromo-2-chlorophenyl)-N'-cyclopropyl-N'-(cyclopropylmethyl)-N-methylpropane-1,3-diamine
CID 82776656

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-(2-ethylpyrrolidin-1-yl)-N-methylpropan-1-amine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-(2-ethylpyrrolidin-1-yl)-N-methylpropan-1-amine (CID 82779580) is 1-(4-bromo-2-chlorophenyl)-3-(2-ethylpyrrolidin-1-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-3-(2-ethylpyrrolidin-1-yl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-3-(2-ethylpyrrolidin-1-yl)-N-methylpropan-1-amine is CCC1CCCN1CCC(NC)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-3-(2-ethylpyrrolidin-1-yl)-N-methylpropan-1-amine?
The InChIKey is LIDJSPCFZGNIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrClN2/c1-3-13-5-4-9-20(13)10-8-16(19-2)14-7-6-12(17)11-15(14)18/h6-7,11,13,16,19H,3-5,8-10H2,1-2H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-3-(2-ethylpyrrolidin-1-yl)-N-methylpropan-1-amine?
1-(4-bromo-2-chlorophenyl)-3-(2-ethylpyrrolidin-1-yl)-N-methylpropan-1-amine has a molecular weight of 359.74 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-3-(2-ethylpyrrolidin-1-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 82779580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).