N-(5-bromo-2-chlorophenyl)-1,5-dimethylpyrrolidin-3-amine

C12H16BrClN2 — CID 81466260

IUPACN-(5-bromo-2-chlorophenyl)-1,5-dimethylpyrrolidin-3-amine
SMILESCC1CC(Nc2cc(Br)ccc2Cl)CN1C
InChIInChI=1S/C12H16BrClN2/c1-8-5-10(7-16(8)2)15-12-6-9(13)3-4-11(12)14/h3-4,6,8,10,15H,5,7H2,1-2H3
InChIKeyNZWMSDJNXNHRLS-UHFFFAOYSA-N
MW303.63 g/mol
LogP3.61
Rot. Bonds2

About N-(5-bromo-2-chlorophenyl)-1,5-dimethylpyrrolidin-3-amine

N-(5-bromo-2-chlorophenyl)-1,5-dimethylpyrrolidin-3-amine (PubChem CID 81466260) has the molecular formula C12H16BrClN2 and a molecular weight of 303.63 g/mol. Its IUPAC name is N-(5-bromo-2-chlorophenyl)-1,5-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(5-bromo-2-chlorophenyl)-1,5-dimethylpyrrolidin-3-amine
PubChem CID81466260
Molecular FormulaC12H16BrClN2
Molecular Weight303.63 g/mol
Exact Mass302.02
IUPAC NameN-(5-bromo-2-chlorophenyl)-1,5-dimethylpyrrolidin-3-amine
SMILESCC1CC(Nc2cc(Br)ccc2Cl)CN1C
InChIInChI=1S/C12H16BrClN2/c1-8-5-10(7-16(8)2)15-12-6-9(13)3-4-11(12)14/h3-4,6,8,10,15H,5,7H2,1-2H3
InChIKeyNZWMSDJNXNHRLS-UHFFFAOYSA-N
XLogP3.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.63
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chlorophenyl)-1,5-dimethylpyrrolidin-3-amine?
The IUPAC name of N-(5-bromo-2-chlorophenyl)-1,5-dimethylpyrrolidin-3-amine (CID 81466260) is N-(5-bromo-2-chlorophenyl)-1,5-dimethylpyrrolidin-3-amine.
What is the SMILES notation for N-(5-bromo-2-chlorophenyl)-1,5-dimethylpyrrolidin-3-amine?
The canonical SMILES for N-(5-bromo-2-chlorophenyl)-1,5-dimethylpyrrolidin-3-amine is CC1CC(Nc2cc(Br)ccc2Cl)CN1C.
What is the InChIKey of N-(5-bromo-2-chlorophenyl)-1,5-dimethylpyrrolidin-3-amine?
The InChIKey is NZWMSDJNXNHRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2/c1-8-5-10(7-16(8)2)15-12-6-9(13)3-4-11(12)14/h3-4,6,8,10,15H,5,7H2,1-2H3.
What are the key properties of N-(5-bromo-2-chlorophenyl)-1,5-dimethylpyrrolidin-3-amine?
N-(5-bromo-2-chlorophenyl)-1,5-dimethylpyrrolidin-3-amine has a molecular weight of 303.63 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-chlorophenyl)-1,5-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 81466260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).