1-(2-bromophenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine

C15H23BrN2 — CID 106603332

IUPAC1-(2-bromophenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCCN(CC1CCCN1)C(C)c1ccccc1Br
InChIInChI=1S/C15H23BrN2/c1-3-18(11-13-7-6-10-17-13)12(2)14-8-4-5-9-15(14)16/h4-5,8-9,12-13,17H,3,6-7,10-11H2,1-2H3
InChIKeyUOKXVTUUIDOGHF-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.58
Rot. Bonds5

About 1-(2-bromophenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine

1-(2-bromophenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine (PubChem CID 106603332) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
PubChem CID106603332
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name1-(2-bromophenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCCN(CC1CCCN1)C(C)c1ccccc1Br
InChIInChI=1S/C15H23BrN2/c1-3-18(11-13-7-6-10-17-13)12(2)14-8-4-5-9-15(14)16/h4-5,8-9,12-13,17H,3,6-7,10-11H2,1-2H3
InChIKeyUOKXVTUUIDOGHF-UHFFFAOYSA-N
XLogP3.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-bromophenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603813
N-[1-(2-bromophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106621969
1-(4-bromo-2-fluorophenyl)-N-ethyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106622422
2-[1-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]ethyl]phenol
CID 106606415
1-(2,5-difluoro-4-methylphenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603359
2-[1-(2-chlorophenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606396
1-(1-benzothiophen-2-yl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603496
N-ethyl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 43265935
1-(2-chlorophenyl)-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 102819503
N-[1-(2-fluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623204
N-ethyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 43274680
1-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106605738

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine?
The IUPAC name of 1-(2-bromophenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine (CID 106603332) is 1-(2-bromophenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(2-bromophenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(2-bromophenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine is CCN(CC1CCCN1)C(C)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine?
The InChIKey is UOKXVTUUIDOGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-3-18(11-13-7-6-10-17-13)12(2)14-8-4-5-9-15(14)16/h4-5,8-9,12-13,17H,3,6-7,10-11H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine?
1-(2-bromophenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine has a molecular weight of 311.27 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 106603332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).