[5-(2-bromo-3-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine

C13H19BrN2 — CID 117455095

IUPAC[5-(2-bromo-3-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCc1cccc(C2CC(CN)CN2C)c1Br
InChIInChI=1S/C13H19BrN2/c1-9-4-3-5-11(13(9)14)12-6-10(7-15)8-16(12)2/h3-5,10,12H,6-8,15H2,1-2H3
InChIKeyWELFYNZXUVUJBY-UHFFFAOYSA-N
MW283.21 g/mol
LogP2.71
Rot. Bonds2

About [5-(2-bromo-3-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine

[5-(2-bromo-3-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine (PubChem CID 117455095) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is [5-(2-bromo-3-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-(2-bromo-3-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
PubChem CID117455095
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name[5-(2-bromo-3-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCc1cccc(C2CC(CN)CN2C)c1Br
InChIInChI=1S/C13H19BrN2/c1-9-4-3-5-11(13(9)14)12-6-10(7-15)8-16(12)2/h3-5,10,12H,6-8,15H2,1-2H3
InChIKeyWELFYNZXUVUJBY-UHFFFAOYSA-N
XLogP2.71
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [5-(2-bromo-3-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(2-bromo-3-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [5-(2-bromo-3-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine (CID 117455095) is [5-(2-bromo-3-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [5-(2-bromo-3-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [5-(2-bromo-3-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine is Cc1cccc(C2CC(CN)CN2C)c1Br.
What is the InChIKey of [5-(2-bromo-3-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The InChIKey is WELFYNZXUVUJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-9-4-3-5-11(13(9)14)12-6-10(7-15)8-16(12)2/h3-5,10,12H,6-8,15H2,1-2H3.
What are the key properties of [5-(2-bromo-3-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine?
[5-(2-bromo-3-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine has a molecular weight of 283.21 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-bromo-3-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117455095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).