2-(3-bromophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine

C15H23BrN2 — CID 10470687

IUPAC2-(3-bromophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine
SMILESCN(CCc1cccc(Br)c1)CCN1CCCC1
InChIInChI=1S/C15H23BrN2/c1-17(11-12-18-8-2-3-9-18)10-7-14-5-4-6-15(16)13-14/h4-6,13H,2-3,7-12H2,1H3
InChIKeyBVKIRWQJJUCRGN-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.02
Rot. Bonds6

About 2-(3-bromophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine

2-(3-bromophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine (PubChem CID 10470687) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine
PubChem CID10470687
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name2-(3-bromophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine
SMILESCN(CCc1cccc(Br)c1)CCN1CCCC1
InChIInChI=1S/C15H23BrN2/c1-17(11-12-18-8-2-3-9-18)10-7-14-5-4-6-15(16)13-14/h4-6,13H,2-3,7-12H2,1H3
InChIKeyBVKIRWQJJUCRGN-UHFFFAOYSA-N
XLogP3.02
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine?
The IUPAC name of 2-(3-bromophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine (CID 10470687) is 2-(3-bromophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine?
The canonical SMILES for 2-(3-bromophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine is CN(CCc1cccc(Br)c1)CCN1CCCC1.
What is the InChIKey of 2-(3-bromophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine?
The InChIKey is BVKIRWQJJUCRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-17(11-12-18-8-2-3-9-18)10-7-14-5-4-6-15(16)13-14/h4-6,13H,2-3,7-12H2,1H3.
What are the key properties of 2-(3-bromophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine?
2-(3-bromophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine has a molecular weight of 311.27 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine is sourced from PubChem (CID 10470687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).