1-cyclopentyl-N-ethyl-2-(3-methoxyphenoxy)ethanamine

C16H25NO2 — CID 104748428

IUPAC1-cyclopentyl-N-ethyl-2-(3-methoxyphenoxy)ethanamine
SMILESCCNC(COc1cccc(OC)c1)C1CCCC1
InChIInChI=1S/C16H25NO2/c1-3-17-16(13-7-4-5-8-13)12-19-15-10-6-9-14(11-15)18-2/h6,9-11,13,16-17H,3-5,7-8,12H2,1-2H3
InChIKeyAHFNBMVHMRBJCF-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.24
Rot. Bonds7

About 1-cyclopentyl-N-ethyl-2-(3-methoxyphenoxy)ethanamine

1-cyclopentyl-N-ethyl-2-(3-methoxyphenoxy)ethanamine (PubChem CID 104748428) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-cyclopentyl-N-ethyl-2-(3-methoxyphenoxy)ethanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-ethyl-2-(3-methoxyphenoxy)ethanamine
PubChem CID104748428
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-cyclopentyl-N-ethyl-2-(3-methoxyphenoxy)ethanamine
SMILESCCNC(COc1cccc(OC)c1)C1CCCC1
InChIInChI=1S/C16H25NO2/c1-3-17-16(13-7-4-5-8-13)12-19-15-10-6-9-14(11-15)18-2/h6,9-11,13,16-17H,3-5,7-8,12H2,1-2H3
InChIKeyAHFNBMVHMRBJCF-UHFFFAOYSA-N
XLogP3.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclopentyl-(3-methoxyphenyl)methyl]ethanamine
CID 60797775
2-(4-chloro-3-methylphenoxy)-1-cyclopentyl-N-ethylethanamine
CID 104749281
N-[2-(3-chlorophenoxy)-1-cyclopentylethyl]propan-1-amine
CID 105080955
N-[1-cyclohexyl-2-(3-fluorophenoxy)ethyl]propan-1-amine
CID 104748574
2-(2-tert-butyl-4-methoxyphenoxy)-1-cyclopropyl-N-ethylethanamine
CID 63913135
1-cyclopropyl-N-ethyl-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 63913879
N-[cyclopropyl-(3-methoxyphenyl)methyl]ethanamine
CID 60820098
1-cyclopentyl-N-ethyl-2-(2-fluorophenoxy)ethanamine
CID 113448545
1-cyclohexyl-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 63478190
1-cyclopropyl-N-ethyl-2-(4-propoxyphenoxy)ethanamine
CID 63908353
1-cyclohexyl-2-(3-methoxyphenyl)-N-methylethanamine
CID 61066272
1-cyclopentyl-N-ethyl-4-phenoxybutan-1-amine
CID 55155916

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-ethyl-2-(3-methoxyphenoxy)ethanamine?
The IUPAC name of 1-cyclopentyl-N-ethyl-2-(3-methoxyphenoxy)ethanamine (CID 104748428) is 1-cyclopentyl-N-ethyl-2-(3-methoxyphenoxy)ethanamine.
What is the SMILES notation for 1-cyclopentyl-N-ethyl-2-(3-methoxyphenoxy)ethanamine?
The canonical SMILES for 1-cyclopentyl-N-ethyl-2-(3-methoxyphenoxy)ethanamine is CCNC(COc1cccc(OC)c1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-ethyl-2-(3-methoxyphenoxy)ethanamine?
The InChIKey is AHFNBMVHMRBJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-17-16(13-7-4-5-8-13)12-19-15-10-6-9-14(11-15)18-2/h6,9-11,13,16-17H,3-5,7-8,12H2,1-2H3.
What are the key properties of 1-cyclopentyl-N-ethyl-2-(3-methoxyphenoxy)ethanamine?
1-cyclopentyl-N-ethyl-2-(3-methoxyphenoxy)ethanamine has a molecular weight of 263.38 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-ethyl-2-(3-methoxyphenoxy)ethanamine is sourced from PubChem (CID 104748428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).