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

C16H24BrClN2 — CID 82781367

IUPAC1-(4-bromo-2-chlorophenyl)-3-(2,2-dimethylpyrrolidin-1-yl)-N-methylpropan-1-amine
SMILESCNC(CCN1CCCC1(C)C)c1ccc(Br)cc1Cl
InChIInChI=1S/C16H24BrClN2/c1-16(2)8-4-9-20(16)10-7-15(19-3)13-6-5-12(17)11-14(13)18/h5-6,11,15,19H,4,7-10H2,1-3H3
InChIKeyVTASPJVJKANWCP-UHFFFAOYSA-N
MW359.74 g/mol
LogP4.63
Rot. Bonds5

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

1-(4-bromo-2-chlorophenyl)-3-(2,2-dimethylpyrrolidin-1-yl)-N-methylpropan-1-amine (PubChem CID 82781367) has the molecular formula C16H24BrClN2 and a molecular weight of 359.74 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-3-(2,2-dimethylpyrrolidin-1-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-3-(2,2-dimethylpyrrolidin-1-yl)-N-methylpropan-1-amine
PubChem CID82781367
Molecular FormulaC16H24BrClN2
Molecular Weight359.74 g/mol
Exact Mass358.08
IUPAC Name1-(4-bromo-2-chlorophenyl)-3-(2,2-dimethylpyrrolidin-1-yl)-N-methylpropan-1-amine
SMILESCNC(CCN1CCCC1(C)C)c1ccc(Br)cc1Cl
InChIInChI=1S/C16H24BrClN2/c1-16(2)8-4-9-20(16)10-7-15(19-3)13-6-5-12(17)11-14(13)18/h5-6,11,15,19H,4,7-10H2,1-3H3
InChIKeyVTASPJVJKANWCP-UHFFFAOYSA-N
XLogP4.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-(2,2-dimethylpyrrolidin-1-yl)-N-methylpropan-1-amine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-(2,2-dimethylpyrrolidin-1-yl)-N-methylpropan-1-amine (CID 82781367) is 1-(4-bromo-2-chlorophenyl)-3-(2,2-dimethylpyrrolidin-1-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-3-(2,2-dimethylpyrrolidin-1-yl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-3-(2,2-dimethylpyrrolidin-1-yl)-N-methylpropan-1-amine is CNC(CCN1CCCC1(C)C)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-3-(2,2-dimethylpyrrolidin-1-yl)-N-methylpropan-1-amine?
The InChIKey is VTASPJVJKANWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrClN2/c1-16(2)8-4-9-20(16)10-7-15(19-3)13-6-5-12(17)11-14(13)18/h5-6,11,15,19H,4,7-10H2,1-3H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-3-(2,2-dimethylpyrrolidin-1-yl)-N-methylpropan-1-amine?
1-(4-bromo-2-chlorophenyl)-3-(2,2-dimethylpyrrolidin-1-yl)-N-methylpropan-1-amine has a molecular weight of 359.74 g/mol, XLogP of 4.63, 5 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-(2,2-dimethylpyrrolidin-1-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 82781367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).