2-[3-(2-bromophenyl)pyrrolidin-1-yl]ethanamine

C12H17BrN2 — CID 82625462

IUPAC2-[3-(2-bromophenyl)pyrrolidin-1-yl]ethanamine
SMILESNCCN1CCC(c2ccccc2Br)C1
InChIInChI=1S/C12H17BrN2/c13-12-4-2-1-3-11(12)10-5-7-15(9-10)8-6-14/h1-4,10H,5-9,14H2
InChIKeyOAASGJFPWRQJIU-UHFFFAOYSA-N
MW269.19 g/mol
LogP2.20
Rot. Bonds3

About 2-[3-(2-bromophenyl)pyrrolidin-1-yl]ethanamine

2-[3-(2-bromophenyl)pyrrolidin-1-yl]ethanamine (PubChem CID 82625462) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is 2-[3-(2-bromophenyl)pyrrolidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(2-bromophenyl)pyrrolidin-1-yl]ethanamine
PubChem CID82625462
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name2-[3-(2-bromophenyl)pyrrolidin-1-yl]ethanamine
SMILESNCCN1CCC(c2ccccc2Br)C1
InChIInChI=1S/C12H17BrN2/c13-12-4-2-1-3-11(12)10-5-7-15(9-10)8-6-14/h1-4,10H,5-9,14H2
InChIKeyOAASGJFPWRQJIU-UHFFFAOYSA-N
XLogP2.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-bromophenyl)pyrrolidin-1-yl]ethanamine?
The IUPAC name of 2-[3-(2-bromophenyl)pyrrolidin-1-yl]ethanamine (CID 82625462) is 2-[3-(2-bromophenyl)pyrrolidin-1-yl]ethanamine.
What is the SMILES notation for 2-[3-(2-bromophenyl)pyrrolidin-1-yl]ethanamine?
The canonical SMILES for 2-[3-(2-bromophenyl)pyrrolidin-1-yl]ethanamine is NCCN1CCC(c2ccccc2Br)C1.
What is the InChIKey of 2-[3-(2-bromophenyl)pyrrolidin-1-yl]ethanamine?
The InChIKey is OAASGJFPWRQJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c13-12-4-2-1-3-11(12)10-5-7-15(9-10)8-6-14/h1-4,10H,5-9,14H2.
What are the key properties of 2-[3-(2-bromophenyl)pyrrolidin-1-yl]ethanamine?
2-[3-(2-bromophenyl)pyrrolidin-1-yl]ethanamine has a molecular weight of 269.19 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-bromophenyl)pyrrolidin-1-yl]ethanamine is sourced from PubChem (CID 82625462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).