3-(aminomethyl)-N-(3-bromo-4-chlorophenyl)-1,5-dimethylpyrrolidin-3-amine

C13H19BrClN3 — CID 81467389

IUPAC3-(aminomethyl)-N-(3-bromo-4-chlorophenyl)-1,5-dimethylpyrrolidin-3-amine
SMILESCC1CC(CN)(Nc2ccc(Cl)c(Br)c2)CN1C
InChIInChI=1S/C13H19BrClN3/c1-9-6-13(7-16,8-18(9)2)17-10-3-4-12(15)11(14)5-10/h3-5,9,17H,6-8,16H2,1-2H3
InChIKeyCHLAWDGURXCHCP-UHFFFAOYSA-N
MW332.67 g/mol
LogP2.94
Rot. Bonds3

About 3-(aminomethyl)-N-(3-bromo-4-chlorophenyl)-1,5-dimethylpyrrolidin-3-amine

3-(aminomethyl)-N-(3-bromo-4-chlorophenyl)-1,5-dimethylpyrrolidin-3-amine (PubChem CID 81467389) has the molecular formula C13H19BrClN3 and a molecular weight of 332.67 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(3-bromo-4-chlorophenyl)-1,5-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-(3-bromo-4-chlorophenyl)-1,5-dimethylpyrrolidin-3-amine
PubChem CID81467389
Molecular FormulaC13H19BrClN3
Molecular Weight332.67 g/mol
Exact Mass331.05
IUPAC Name3-(aminomethyl)-N-(3-bromo-4-chlorophenyl)-1,5-dimethylpyrrolidin-3-amine
SMILESCC1CC(CN)(Nc2ccc(Cl)c(Br)c2)CN1C
InChIInChI=1S/C13H19BrClN3/c1-9-6-13(7-16,8-18(9)2)17-10-3-4-12(15)11(14)5-10/h3-5,9,17H,6-8,16H2,1-2H3
InChIKeyCHLAWDGURXCHCP-UHFFFAOYSA-N
XLogP2.94
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.67
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(3-bromo-4-chlorophenyl)-1,5-dimethylpyrrolidin-3-amine?
The IUPAC name of 3-(aminomethyl)-N-(3-bromo-4-chlorophenyl)-1,5-dimethylpyrrolidin-3-amine (CID 81467389) is 3-(aminomethyl)-N-(3-bromo-4-chlorophenyl)-1,5-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-(3-bromo-4-chlorophenyl)-1,5-dimethylpyrrolidin-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-(3-bromo-4-chlorophenyl)-1,5-dimethylpyrrolidin-3-amine is CC1CC(CN)(Nc2ccc(Cl)c(Br)c2)CN1C.
What is the InChIKey of 3-(aminomethyl)-N-(3-bromo-4-chlorophenyl)-1,5-dimethylpyrrolidin-3-amine?
The InChIKey is CHLAWDGURXCHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrClN3/c1-9-6-13(7-16,8-18(9)2)17-10-3-4-12(15)11(14)5-10/h3-5,9,17H,6-8,16H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-(3-bromo-4-chlorophenyl)-1,5-dimethylpyrrolidin-3-amine?
3-(aminomethyl)-N-(3-bromo-4-chlorophenyl)-1,5-dimethylpyrrolidin-3-amine has a molecular weight of 332.67 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(3-bromo-4-chlorophenyl)-1,5-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 81467389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).