2-(4-bromophenyl)pyrrolidin-1-amine

C10H13BrN2 — CID 83542523

IUPAC2-(4-bromophenyl)pyrrolidin-1-amine
SMILESNN1CCCC1c1ccc(Br)cc1
InChIInChI=1S/C10H13BrN2/c11-9-5-3-8(4-6-9)10-2-1-7-13(10)12/h3-6,10H,1-2,7,12H2
InChIKeyIBLXRYVNOKVFRM-UHFFFAOYSA-N
MW241.13 g/mol
LogP2.46
Rot. Bonds1

About 2-(4-bromophenyl)pyrrolidin-1-amine

2-(4-bromophenyl)pyrrolidin-1-amine (PubChem CID 83542523) has the molecular formula C10H13BrN2 and a molecular weight of 241.13 g/mol. Its IUPAC name is 2-(4-bromophenyl)pyrrolidin-1-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)pyrrolidin-1-amine
PubChem CID83542523
Molecular FormulaC10H13BrN2
Molecular Weight241.13 g/mol
Exact Mass240.03
IUPAC Name2-(4-bromophenyl)pyrrolidin-1-amine
SMILESNN1CCCC1c1ccc(Br)cc1
InChIInChI=1S/C10H13BrN2/c11-9-5-3-8(4-6-9)10-2-1-7-13(10)12/h3-6,10H,1-2,7,12H2
InChIKeyIBLXRYVNOKVFRM-UHFFFAOYSA-N
XLogP2.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)pyrrolidin-1-amine?
The IUPAC name of 2-(4-bromophenyl)pyrrolidin-1-amine (CID 83542523) is 2-(4-bromophenyl)pyrrolidin-1-amine.
What is the SMILES notation for 2-(4-bromophenyl)pyrrolidin-1-amine?
The canonical SMILES for 2-(4-bromophenyl)pyrrolidin-1-amine is NN1CCCC1c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)pyrrolidin-1-amine?
The InChIKey is IBLXRYVNOKVFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2/c11-9-5-3-8(4-6-9)10-2-1-7-13(10)12/h3-6,10H,1-2,7,12H2.
What are the key properties of 2-(4-bromophenyl)pyrrolidin-1-amine?
2-(4-bromophenyl)pyrrolidin-1-amine has a molecular weight of 241.13 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)pyrrolidin-1-amine is sourced from PubChem (CID 83542523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).