N-[1-cyclopentyl-2-(4-ethylphenoxy)ethyl]propan-1-amine

C18H29NO — CID 104748438

IUPACN-[1-cyclopentyl-2-(4-ethylphenoxy)ethyl]propan-1-amine
SMILESCCCNC(COc1ccc(CC)cc1)C1CCCC1
InChIInChI=1S/C18H29NO/c1-3-13-19-18(16-7-5-6-8-16)14-20-17-11-9-15(4-2)10-12-17/h9-12,16,18-19H,3-8,13-14H2,1-2H3
InChIKeyGDTGOTQGVCSOEL-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.19
Rot. Bonds8

About N-[1-cyclopentyl-2-(4-ethylphenoxy)ethyl]propan-1-amine

N-[1-cyclopentyl-2-(4-ethylphenoxy)ethyl]propan-1-amine (PubChem CID 104748438) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[1-cyclopentyl-2-(4-ethylphenoxy)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-cyclopentyl-2-(4-ethylphenoxy)ethyl]propan-1-amine
PubChem CID104748438
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[1-cyclopentyl-2-(4-ethylphenoxy)ethyl]propan-1-amine
SMILESCCCNC(COc1ccc(CC)cc1)C1CCCC1
InChIInChI=1S/C18H29NO/c1-3-13-19-18(16-7-5-6-8-16)14-20-17-11-9-15(4-2)10-12-17/h9-12,16,18-19H,3-8,13-14H2,1-2H3
InChIKeyGDTGOTQGVCSOEL-UHFFFAOYSA-N
XLogP4.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-cyclopentyl-2-(4-ethylphenoxy)ethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-cyclohexyl-2-(3-fluorophenoxy)ethyl]propan-1-amine
CID 104748574
N-[2-(3-chlorophenoxy)-1-cyclopentylethyl]propan-1-amine
CID 105080955
N-[1-cyclopentyl-2-(2-ethoxyphenoxy)ethyl]propan-1-amine
CID 104748399
N-[2-(2-chlorophenoxy)-1-cyclopentylethyl]propan-1-amine
CID 104749295
N-[1-cyclohexyl-2-(2,4-difluorophenoxy)ethyl]propan-1-amine
CID 104748323
N-[1-cyclopentyl-2-(2-propan-2-ylphenoxy)ethyl]propan-1-amine
CID 104748610
1-cyclobutyl-3-(4-methoxyphenyl)-N-propylpropan-1-amine
CID 65446483
1-cyclohexyl-3-phenoxy-N-propylpropan-1-amine
CID 60798313
1-cyclopropyl-N-ethyl-2-(4-propoxyphenoxy)ethanamine
CID 63908353
N-[cyclohexyl-(4-ethylphenyl)methyl]propan-1-amine
CID 43496590
1-cyclopentyl-3-(4-ethylphenoxy)propan-2-ol
CID 103160577
N-(1-cyclopentyl-2-propan-2-yloxyethyl)propan-1-amine
CID 79574942

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopentyl-2-(4-ethylphenoxy)ethyl]propan-1-amine?
The IUPAC name of N-[1-cyclopentyl-2-(4-ethylphenoxy)ethyl]propan-1-amine (CID 104748438) is N-[1-cyclopentyl-2-(4-ethylphenoxy)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-cyclopentyl-2-(4-ethylphenoxy)ethyl]propan-1-amine?
The canonical SMILES for N-[1-cyclopentyl-2-(4-ethylphenoxy)ethyl]propan-1-amine is CCCNC(COc1ccc(CC)cc1)C1CCCC1.
What is the InChIKey of N-[1-cyclopentyl-2-(4-ethylphenoxy)ethyl]propan-1-amine?
The InChIKey is GDTGOTQGVCSOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-13-19-18(16-7-5-6-8-16)14-20-17-11-9-15(4-2)10-12-17/h9-12,16,18-19H,3-8,13-14H2,1-2H3.
What are the key properties of N-[1-cyclopentyl-2-(4-ethylphenoxy)ethyl]propan-1-amine?
N-[1-cyclopentyl-2-(4-ethylphenoxy)ethyl]propan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopentyl-2-(4-ethylphenoxy)ethyl]propan-1-amine is sourced from PubChem (CID 104748438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).