N-ethyl-2-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine

C17H28N2O — CID 24849100

IUPACN-ethyl-2-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine
SMILESCCN(CCc1ccc(OC)cc1)CCN1CCCC1
InChIInChI=1S/C17H28N2O/c1-3-18(14-15-19-11-4-5-12-19)13-10-16-6-8-17(20-2)9-7-16/h6-9H,3-5,10-15H2,1-2H3
InChIKeyBQAIWMCFNUPLDY-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.66
Rot. Bonds8

About N-ethyl-2-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine

N-ethyl-2-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine (PubChem CID 24849100) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-ethyl-2-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine
PubChem CID24849100
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-ethyl-2-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine
SMILESCCN(CCc1ccc(OC)cc1)CCN1CCCC1
InChIInChI=1S/C17H28N2O/c1-3-18(14-15-19-11-4-5-12-19)13-10-16-6-8-17(20-2)9-7-16/h6-9H,3-5,10-15H2,1-2H3
InChIKeyBQAIWMCFNUPLDY-UHFFFAOYSA-N
XLogP2.66
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine?
The IUPAC name of N-ethyl-2-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine (CID 24849100) is N-ethyl-2-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine?
The canonical SMILES for N-ethyl-2-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine is CCN(CCc1ccc(OC)cc1)CCN1CCCC1.
What is the InChIKey of N-ethyl-2-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine?
The InChIKey is BQAIWMCFNUPLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-18(14-15-19-11-4-5-12-19)13-10-16-6-8-17(20-2)9-7-16/h6-9H,3-5,10-15H2,1-2H3.
What are the key properties of N-ethyl-2-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine?
N-ethyl-2-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine has a molecular weight of 276.42 g/mol, XLogP of 2.66, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine is sourced from PubChem (CID 24849100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).