1-(2-ethoxyphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine

C16H26N2O — CID 54882989

IUPAC1-(2-ethoxyphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine
SMILESCCOc1ccccc1C(N)CN1CCCC1CC
InChIInChI=1S/C16H26N2O/c1-3-13-8-7-11-18(13)12-15(17)14-9-5-6-10-16(14)19-4-2/h5-6,9-10,13,15H,3-4,7-8,11-12,17H2,1-2H3
InChIKeyWOJUMNLGLOOCTJ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.96
Rot. Bonds6

About 1-(2-ethoxyphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine

1-(2-ethoxyphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine (PubChem CID 54882989) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine
PubChem CID54882989
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(2-ethoxyphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine
SMILESCCOc1ccccc1C(N)CN1CCCC1CC
InChIInChI=1S/C16H26N2O/c1-3-13-8-7-11-18(13)12-15(17)14-9-5-6-10-16(14)19-4-2/h5-6,9-10,13,15H,3-4,7-8,11-12,17H2,1-2H3
InChIKeyWOJUMNLGLOOCTJ-UHFFFAOYSA-N
XLogP2.96
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dimethylpiperidin-1-yl)-1-(2-ethoxyphenyl)ethanamine
CID 62122834
2-(2-ethylpyrrolidin-1-yl)-1-(2-fluorophenyl)ethanamine
CID 114058265
1-(2,5-difluorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine
CID 107519852
2-(2-ethylpiperidin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43266464
2-(2-ethylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine
CID 107519853
1-(2-ethoxyphenyl)-2-(1,4-oxazepan-4-yl)ethanamine
CID 62988321
(2R)-1-(2-ethylpyrrolidin-1-yl)-3-phenylpropan-2-amine
CID 112736480
2-(2-ethylpyrrolidin-1-yl)-1-(4-propoxyphenyl)ethanamine
CID 60973388
1-[2-amino-2-(2-ethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 16783798
1-(2-ethoxyphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine
CID 62986560
2-[2-(2-ethylpyrrolidin-1-yl)ethoxy]aniline
CID 60973851
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine?
The IUPAC name of 1-(2-ethoxyphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine (CID 54882989) is 1-(2-ethoxyphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine?
The canonical SMILES for 1-(2-ethoxyphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine is CCOc1ccccc1C(N)CN1CCCC1CC.
What is the InChIKey of 1-(2-ethoxyphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine?
The InChIKey is WOJUMNLGLOOCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-13-8-7-11-18(13)12-15(17)14-9-5-6-10-16(14)19-4-2/h5-6,9-10,13,15H,3-4,7-8,11-12,17H2,1-2H3.
What are the key properties of 1-(2-ethoxyphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine?
1-(2-ethoxyphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 54882989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).