2-(3-bromo-4-pyrrolidin-1-ylphenyl)-N-methylethanamine

C13H19BrN2 — CID 117455100

IUPAC2-(3-bromo-4-pyrrolidin-1-ylphenyl)-N-methylethanamine
SMILESCNCCc1ccc(N2CCCC2)c(Br)c1
InChIInChI=1S/C13H19BrN2/c1-15-7-6-11-4-5-13(12(14)10-11)16-8-2-3-9-16/h4-5,10,15H,2-3,6-9H2,1H3
InChIKeyYPRJHBRNJJISEI-UHFFFAOYSA-N
MW283.21 g/mol
LogP2.81
Rot. Bonds4

About 2-(3-bromo-4-pyrrolidin-1-ylphenyl)-N-methylethanamine

2-(3-bromo-4-pyrrolidin-1-ylphenyl)-N-methylethanamine (PubChem CID 117455100) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 2-(3-bromo-4-pyrrolidin-1-ylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-bromo-4-pyrrolidin-1-ylphenyl)-N-methylethanamine
PubChem CID117455100
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name2-(3-bromo-4-pyrrolidin-1-ylphenyl)-N-methylethanamine
SMILESCNCCc1ccc(N2CCCC2)c(Br)c1
InChIInChI=1S/C13H19BrN2/c1-15-7-6-11-4-5-13(12(14)10-11)16-8-2-3-9-16/h4-5,10,15H,2-3,6-9H2,1H3
InChIKeyYPRJHBRNJJISEI-UHFFFAOYSA-N
XLogP2.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-bromo-4-pyrrolidin-1-ylphenyl)-N-methylethanamine with MolForge

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

Launch Full Analysis

Related Compounds

1-(3-bromo-4-pyrrolidin-1-ylphenyl)-2-methylpropan-2-amine
CID 117478728
1-(3-bromo-4-pyrrolidin-1-ylphenyl)propan-2-one
CID 117453199
2-[3-bromo-4-(1,2,4-triazol-1-yl)phenyl]-N-methylethanamine
CID 117451108
2-[3-bromo-4-(4-methylpiperazin-1-yl)phenyl]ethanol
CID 117482011
2-(3-bromo-4-piperidin-1-ylphenyl)acetic acid
CID 117480207
1-[3-bromo-4-(4-ethylpiperidin-1-yl)phenyl]-N-methylmethanamine
CID 114062756
1-(3-bromo-4-pyrrolidin-1-ylphenyl)-N-methylethanamine
CID 62908297
3-[3-bromo-4-(4-methylpiperazin-1-yl)phenyl]propan-1-ol
CID 117498580
N-[1-(3-bromo-4-pyrrolidin-1-ylphenyl)ethyl]propan-1-amine
CID 55130910
1-(2-bromo-4-cyclopropylphenyl)pyrrolidine
CID 164662449
1-(2-bromo-4-ethylphenyl)piperazine
CID 84712435
2-(6,7-dihydronaphthalen-2-yl)-N-methylethanamine;molecular hydrogen
CID 156874569

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-pyrrolidin-1-ylphenyl)-N-methylethanamine?
The IUPAC name of 2-(3-bromo-4-pyrrolidin-1-ylphenyl)-N-methylethanamine (CID 117455100) is 2-(3-bromo-4-pyrrolidin-1-ylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-bromo-4-pyrrolidin-1-ylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(3-bromo-4-pyrrolidin-1-ylphenyl)-N-methylethanamine is CNCCc1ccc(N2CCCC2)c(Br)c1.
What is the InChIKey of 2-(3-bromo-4-pyrrolidin-1-ylphenyl)-N-methylethanamine?
The InChIKey is YPRJHBRNJJISEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-15-7-6-11-4-5-13(12(14)10-11)16-8-2-3-9-16/h4-5,10,15H,2-3,6-9H2,1H3.
What are the key properties of 2-(3-bromo-4-pyrrolidin-1-ylphenyl)-N-methylethanamine?
2-(3-bromo-4-pyrrolidin-1-ylphenyl)-N-methylethanamine has a molecular weight of 283.21 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-pyrrolidin-1-ylphenyl)-N-methylethanamine is sourced from PubChem (CID 117455100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).