1-cyclopentyl-2-(3-ethoxyphenoxy)ethanamine

C15H23NO2 — CID 104749344

IUPAC1-cyclopentyl-2-(3-ethoxyphenoxy)ethanamine
SMILESCCOc1cccc(OCC(N)C2CCCC2)c1
InChIInChI=1S/C15H23NO2/c1-2-17-13-8-5-9-14(10-13)18-11-15(16)12-6-3-4-7-12/h5,8-10,12,15H,2-4,6-7,11,16H2,1H3
InChIKeyPDWZKAZPMRBYAM-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.98
Rot. Bonds6

About 1-cyclopentyl-2-(3-ethoxyphenoxy)ethanamine

1-cyclopentyl-2-(3-ethoxyphenoxy)ethanamine (PubChem CID 104749344) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-cyclopentyl-2-(3-ethoxyphenoxy)ethanamine.

Molecular Properties

Compound Name1-cyclopentyl-2-(3-ethoxyphenoxy)ethanamine
PubChem CID104749344
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-cyclopentyl-2-(3-ethoxyphenoxy)ethanamine
SMILESCCOc1cccc(OCC(N)C2CCCC2)c1
InChIInChI=1S/C15H23NO2/c1-2-17-13-8-5-9-14(10-13)18-11-15(16)12-6-3-4-7-12/h5,8-10,12,15H,2-4,6-7,11,16H2,1H3
InChIKeyPDWZKAZPMRBYAM-UHFFFAOYSA-N
XLogP2.98
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-cyclopentyl-(3-ethoxyphenyl)methanamine;hydrochloride
CID 171225239
2-(3-bromophenoxy)-1-cyclobutylethanamine
CID 117245578
3-(2-amino-2-cyclobutylethoxy)phenol
CID 117245581
1-cyclopropyl-2-(3-ethylphenoxy)ethanamine
CID 63907502
1-cyclopentyl-2-(3,5-dimethoxyphenoxy)ethanamine
CID 104749121
(R)-cyclobutyl-(3-ethoxyphenyl)methanamine;hydrochloride
CID 171205660
1-cyclopentyl-2-(3,4-dimethylphenoxy)ethanamine
CID 104748507
2-cyclopentyl-2-(3-ethoxyphenyl)ethanamine
CID 83973259
2-(3-chlorophenoxy)-1-(4-ethylcyclohexyl)ethanamine
CID 105155171
[cyclopentyl-(3-ethoxyphenyl)methyl]hydrazine
CID 105191906
2-cycloheptyl-1-(3-ethoxyphenyl)ethanamine
CID 105022380
2-cyclohexyl-1-(3-ethoxyphenyl)-2-methoxyethanamine
CID 116771298

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(3-ethoxyphenoxy)ethanamine?
The IUPAC name of 1-cyclopentyl-2-(3-ethoxyphenoxy)ethanamine (CID 104749344) is 1-cyclopentyl-2-(3-ethoxyphenoxy)ethanamine.
What is the SMILES notation for 1-cyclopentyl-2-(3-ethoxyphenoxy)ethanamine?
The canonical SMILES for 1-cyclopentyl-2-(3-ethoxyphenoxy)ethanamine is CCOc1cccc(OCC(N)C2CCCC2)c1.
What is the InChIKey of 1-cyclopentyl-2-(3-ethoxyphenoxy)ethanamine?
The InChIKey is PDWZKAZPMRBYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-2-17-13-8-5-9-14(10-13)18-11-15(16)12-6-3-4-7-12/h5,8-10,12,15H,2-4,6-7,11,16H2,1H3.
What are the key properties of 1-cyclopentyl-2-(3-ethoxyphenoxy)ethanamine?
1-cyclopentyl-2-(3-ethoxyphenoxy)ethanamine has a molecular weight of 249.35 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(3-ethoxyphenoxy)ethanamine is sourced from PubChem (CID 104749344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).