N-ethyl-2-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopentan-1-amine

C17H27NO2 — CID 79572317

IUPACN-ethyl-2-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopentan-1-amine
SMILESCCNC1CCCC1CCOc1ccc(C)cc1OC
InChIInChI=1S/C17H27NO2/c1-4-18-15-7-5-6-14(15)10-11-20-16-9-8-13(2)12-17(16)19-3/h8-9,12,14-15,18H,4-7,10-11H2,1-3H3
InChIKeyRAPLEUKWAPYSHK-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.55
Rot. Bonds7

About N-ethyl-2-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopentan-1-amine

N-ethyl-2-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopentan-1-amine (PubChem CID 79572317) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-ethyl-2-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopentan-1-amine
PubChem CID79572317
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-ethyl-2-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopentan-1-amine
SMILESCCNC1CCCC1CCOc1ccc(C)cc1OC
InChIInChI=1S/C17H27NO2/c1-4-18-15-7-5-6-14(15)10-11-20-16-9-8-13(2)12-17(16)19-3/h8-9,12,14-15,18H,4-7,10-11H2,1-3H3
InChIKeyRAPLEUKWAPYSHK-UHFFFAOYSA-N
XLogP3.55
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-2-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopentan-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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopentan-1-amine?
The IUPAC name of N-ethyl-2-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopentan-1-amine (CID 79572317) is N-ethyl-2-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopentan-1-amine.
What is the SMILES notation for N-ethyl-2-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopentan-1-amine?
The canonical SMILES for N-ethyl-2-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopentan-1-amine is CCNC1CCCC1CCOc1ccc(C)cc1OC.
What is the InChIKey of N-ethyl-2-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopentan-1-amine?
The InChIKey is RAPLEUKWAPYSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-18-15-7-5-6-14(15)10-11-20-16-9-8-13(2)12-17(16)19-3/h8-9,12,14-15,18H,4-7,10-11H2,1-3H3.
What are the key properties of N-ethyl-2-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopentan-1-amine?
N-ethyl-2-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopentan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 79572317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).