1-(3-bromophenyl)pyrrolidin-3-amine

C10H13BrN2 — CID 60861449

IUPAC1-(3-bromophenyl)pyrrolidin-3-amine
SMILESNC1CCN(c2cccc(Br)c2)C1
InChIInChI=1S/C10H13BrN2/c11-8-2-1-3-10(6-8)13-5-4-9(12)7-13/h1-3,6,9H,4-5,7,12H2
InChIKeyZSMIAVSFNGTAEH-UHFFFAOYSA-N
MW241.13 g/mol
LogP1.99
Rot. Bonds1

About 1-(3-bromophenyl)pyrrolidin-3-amine

1-(3-bromophenyl)pyrrolidin-3-amine (PubChem CID 60861449) has the molecular formula C10H13BrN2 and a molecular weight of 241.13 g/mol. Its IUPAC name is 1-(3-bromophenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)pyrrolidin-3-amine
PubChem CID60861449
Molecular FormulaC10H13BrN2
Molecular Weight241.13 g/mol
Exact Mass240.03
IUPAC Name1-(3-bromophenyl)pyrrolidin-3-amine
SMILESNC1CCN(c2cccc(Br)c2)C1
InChIInChI=1S/C10H13BrN2/c11-8-2-1-3-10(6-8)13-5-4-9(12)7-13/h1-3,6,9H,4-5,7,12H2
InChIKeyZSMIAVSFNGTAEH-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)pyrrolidin-3-amine?
The IUPAC name of 1-(3-bromophenyl)pyrrolidin-3-amine (CID 60861449) is 1-(3-bromophenyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(3-bromophenyl)pyrrolidin-3-amine?
The canonical SMILES for 1-(3-bromophenyl)pyrrolidin-3-amine is NC1CCN(c2cccc(Br)c2)C1.
What is the InChIKey of 1-(3-bromophenyl)pyrrolidin-3-amine?
The InChIKey is ZSMIAVSFNGTAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2/c11-8-2-1-3-10(6-8)13-5-4-9(12)7-13/h1-3,6,9H,4-5,7,12H2.
What are the key properties of 1-(3-bromophenyl)pyrrolidin-3-amine?
1-(3-bromophenyl)pyrrolidin-3-amine has a molecular weight of 241.13 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)pyrrolidin-3-amine is sourced from PubChem (CID 60861449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).