N-[1-cyclopentyl-2-(2-ethoxyphenoxy)ethyl]propan-1-amine

C18H29NO2 — CID 104748399

IUPACN-[1-cyclopentyl-2-(2-ethoxyphenoxy)ethyl]propan-1-amine
SMILESCCCNC(COc1ccccc1OCC)C1CCCC1
InChIInChI=1S/C18H29NO2/c1-3-13-19-16(15-9-5-6-10-15)14-21-18-12-8-7-11-17(18)20-4-2/h7-8,11-12,15-16,19H,3-6,9-10,13-14H2,1-2H3
InChIKeyIPGYTPBBOTVOHO-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.02
Rot. Bonds9

About N-[1-cyclopentyl-2-(2-ethoxyphenoxy)ethyl]propan-1-amine

N-[1-cyclopentyl-2-(2-ethoxyphenoxy)ethyl]propan-1-amine (PubChem CID 104748399) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[1-cyclopentyl-2-(2-ethoxyphenoxy)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-cyclopentyl-2-(2-ethoxyphenoxy)ethyl]propan-1-amine
PubChem CID104748399
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[1-cyclopentyl-2-(2-ethoxyphenoxy)ethyl]propan-1-amine
SMILESCCCNC(COc1ccccc1OCC)C1CCCC1
InChIInChI=1S/C18H29NO2/c1-3-13-19-16(15-9-5-6-10-15)14-21-18-12-8-7-11-17(18)20-4-2/h7-8,11-12,15-16,19H,3-6,9-10,13-14H2,1-2H3
InChIKeyIPGYTPBBOTVOHO-UHFFFAOYSA-N
XLogP4.02
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-cyclopentyl-2-(2-propan-2-ylphenoxy)ethyl]propan-1-amine
CID 104748610
N-[2-(2-chlorophenoxy)-1-cyclopentylethyl]propan-1-amine
CID 104749295
N-[2-(2-ethoxyphenoxy)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104748410
N-[cyclopentyl-(2-ethoxyphenyl)methyl]propan-1-amine
CID 62802061
N-[1-cyclohexyl-2-(2,4-difluorophenoxy)ethyl]propan-1-amine
CID 104748323
N-[cyclobutyl-(2-ethoxyphenyl)methyl]propan-1-amine
CID 64987111
N-[2-(3-chlorophenoxy)-1-cyclopentylethyl]propan-1-amine
CID 105080955
N-[2-(5-chloro-2-methylphenoxy)-1-cyclohexylethyl]propan-1-amine
CID 104749569
N-[1-cyclopentyl-2-(4-ethylphenoxy)ethyl]propan-1-amine
CID 104748438
1-cyclopentyl-N-ethyl-2-(2-fluorophenoxy)ethanamine
CID 113448545
N-[1-cyclopropyl-2-(2,6-dimethoxyphenoxy)ethyl]propan-1-amine
CID 63912914
N-[1-cyclopropyl-2-(2,5-difluorophenoxy)ethyl]propan-1-amine
CID 63906071

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopentyl-2-(2-ethoxyphenoxy)ethyl]propan-1-amine?
The IUPAC name of N-[1-cyclopentyl-2-(2-ethoxyphenoxy)ethyl]propan-1-amine (CID 104748399) is N-[1-cyclopentyl-2-(2-ethoxyphenoxy)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-cyclopentyl-2-(2-ethoxyphenoxy)ethyl]propan-1-amine?
The canonical SMILES for N-[1-cyclopentyl-2-(2-ethoxyphenoxy)ethyl]propan-1-amine is CCCNC(COc1ccccc1OCC)C1CCCC1.
What is the InChIKey of N-[1-cyclopentyl-2-(2-ethoxyphenoxy)ethyl]propan-1-amine?
The InChIKey is IPGYTPBBOTVOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-3-13-19-16(15-9-5-6-10-15)14-21-18-12-8-7-11-17(18)20-4-2/h7-8,11-12,15-16,19H,3-6,9-10,13-14H2,1-2H3.
What are the key properties of N-[1-cyclopentyl-2-(2-ethoxyphenoxy)ethyl]propan-1-amine?
N-[1-cyclopentyl-2-(2-ethoxyphenoxy)ethyl]propan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 4.02, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopentyl-2-(2-ethoxyphenoxy)ethyl]propan-1-amine is sourced from PubChem (CID 104748399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).