1-(4-bromo-2-pyrrolidin-1-ylphenyl)propan-2-amine

C13H19BrN2 — CID 63787239

IUPAC1-(4-bromo-2-pyrrolidin-1-ylphenyl)propan-2-amine
SMILESCC(N)Cc1ccc(Br)cc1N1CCCC1
InChIInChI=1S/C13H19BrN2/c1-10(15)8-11-4-5-12(14)9-13(11)16-6-2-3-7-16/h4-5,9-10H,2-3,6-8,15H2,1H3
InChIKeyINJOPIYWRPMUEX-UHFFFAOYSA-N
MW283.21 g/mol
LogP2.94
Rot. Bonds3

About 1-(4-bromo-2-pyrrolidin-1-ylphenyl)propan-2-amine

1-(4-bromo-2-pyrrolidin-1-ylphenyl)propan-2-amine (PubChem CID 63787239) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 1-(4-bromo-2-pyrrolidin-1-ylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-2-pyrrolidin-1-ylphenyl)propan-2-amine
PubChem CID63787239
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name1-(4-bromo-2-pyrrolidin-1-ylphenyl)propan-2-amine
SMILESCC(N)Cc1ccc(Br)cc1N1CCCC1
InChIInChI=1S/C13H19BrN2/c1-10(15)8-11-4-5-12(14)9-13(11)16-6-2-3-7-16/h4-5,9-10H,2-3,6-8,15H2,1H3
InChIKeyINJOPIYWRPMUEX-UHFFFAOYSA-N
XLogP2.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromo-2-pyrrolidin-1-ylphenyl)propan-2-amine 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-(4-bromo-2-piperidin-1-ylphenyl)butan-2-amine
CID 63785603
1-[2-(2-aminopropyl)-5-bromophenyl]-N,N-dimethylpyrrolidin-3-amine
CID 63794895
1-(4-bromo-2-piperidin-1-ylphenyl)ethanamine
CID 82972487
1-[4-bromo-2-(2-ethylpyrrolidin-1-yl)phenyl]propan-2-amine
CID 63785737
1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-bromophenyl]propan-2-amine
CID 65322122
1-[5-bromo-2-(chloromethyl)phenyl]pyrrolidine
CID 43365127
1-[4-bromo-2-(4-propan-2-ylpiperidin-1-yl)phenyl]butan-2-amine
CID 103503911
1-(5-bromo-2-morpholin-4-ylphenyl)propan-2-amine;hydrochloride
CID 170894305
1-[4-bromo-2-(4-methylpiperazin-1-yl)phenyl]butan-2-amine
CID 63787411
1-[5-bromo-2-(chloromethyl)phenyl]azocane
CID 43365159
1-(4-bromo-2-piperidin-1-ylphenyl)-N-methylmethanamine
CID 43281124
1-[4-bromo-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]propan-2-amine
CID 63817747

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-pyrrolidin-1-ylphenyl)propan-2-amine?
The IUPAC name of 1-(4-bromo-2-pyrrolidin-1-ylphenyl)propan-2-amine (CID 63787239) is 1-(4-bromo-2-pyrrolidin-1-ylphenyl)propan-2-amine.
What is the SMILES notation for 1-(4-bromo-2-pyrrolidin-1-ylphenyl)propan-2-amine?
The canonical SMILES for 1-(4-bromo-2-pyrrolidin-1-ylphenyl)propan-2-amine is CC(N)Cc1ccc(Br)cc1N1CCCC1.
What is the InChIKey of 1-(4-bromo-2-pyrrolidin-1-ylphenyl)propan-2-amine?
The InChIKey is INJOPIYWRPMUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-10(15)8-11-4-5-12(14)9-13(11)16-6-2-3-7-16/h4-5,9-10H,2-3,6-8,15H2,1H3.
What are the key properties of 1-(4-bromo-2-pyrrolidin-1-ylphenyl)propan-2-amine?
1-(4-bromo-2-pyrrolidin-1-ylphenyl)propan-2-amine has a molecular weight of 283.21 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-pyrrolidin-1-ylphenyl)propan-2-amine is sourced from PubChem (CID 63787239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).