N-(2-bromophenyl)pyrrolidin-3-amine

C10H13BrN2 — CID 66545624

IUPACN-(2-bromophenyl)pyrrolidin-3-amine
SMILESBrc1ccccc1NC1CCNC1
InChIInChI=1S/C10H13BrN2/c11-9-3-1-2-4-10(9)13-8-5-6-12-7-8/h1-4,8,12-13H,5-7H2
InChIKeyJXBDLIQRCYARQP-UHFFFAOYSA-N
MW241.13 g/mol
LogP2.22
Rot. Bonds2

About N-(2-bromophenyl)pyrrolidin-3-amine

N-(2-bromophenyl)pyrrolidin-3-amine (PubChem CID 66545624) has the molecular formula C10H13BrN2 and a molecular weight of 241.13 g/mol. Its IUPAC name is N-(2-bromophenyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-(2-bromophenyl)pyrrolidin-3-amine
PubChem CID66545624
Molecular FormulaC10H13BrN2
Molecular Weight241.13 g/mol
Exact Mass240.03
IUPAC NameN-(2-bromophenyl)pyrrolidin-3-amine
SMILESBrc1ccccc1NC1CCNC1
InChIInChI=1S/C10H13BrN2/c11-9-3-1-2-4-10(9)13-8-5-6-12-7-8/h1-4,8,12-13H,5-7H2
InChIKeyJXBDLIQRCYARQP-UHFFFAOYSA-N
XLogP2.22
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2-bromophenyl)pyrrolidin-3-amine 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 N-(2-bromophenyl)pyrrolidin-3-amine?
The IUPAC name of N-(2-bromophenyl)pyrrolidin-3-amine (CID 66545624) is N-(2-bromophenyl)pyrrolidin-3-amine.
What is the SMILES notation for N-(2-bromophenyl)pyrrolidin-3-amine?
The canonical SMILES for N-(2-bromophenyl)pyrrolidin-3-amine is Brc1ccccc1NC1CCNC1.
What is the InChIKey of N-(2-bromophenyl)pyrrolidin-3-amine?
The InChIKey is JXBDLIQRCYARQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2/c11-9-3-1-2-4-10(9)13-8-5-6-12-7-8/h1-4,8,12-13H,5-7H2.
What are the key properties of N-(2-bromophenyl)pyrrolidin-3-amine?
N-(2-bromophenyl)pyrrolidin-3-amine has a molecular weight of 241.13 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)pyrrolidin-3-amine is sourced from PubChem (CID 66545624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).