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

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Related Compounds

2-[2-(2-tert-butyl-4-methylphenoxy)ethyl]-N-methylcyclopentan-1-amine
CID 79576149
N-[2-(2-methoxy-4-methylphenoxy)ethyl]cycloheptanamine
CID 62571722
N-ethyl-2-[2-(2,4,6-tribromophenoxy)ethyl]cyclopentan-1-amine
CID 79573640
2-[2-(5-fluoro-2-methylphenoxy)ethyl]-N-propylcyclopentan-1-amine
CID 102981137
2-[2-(4-bromophenoxy)ethyl]-N-ethylcycloheptan-1-amine
CID 63403341
2-[2-(3,5-dimethylphenoxy)ethyl]-N-propylcyclopentan-1-amine
CID 79572785
N-[(3,4-dimethoxyphenyl)methyl]-2-ethylcyclopentan-1-amine
CID 115691314
1-[3-(2-methoxy-4-methylphenoxy)propyl]azepan-1-ium
CID 2194847
1-(3-chloropropoxy)-2-methoxy-4-methylbenzene
CID 23036323
1-amino-2-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopentane-1-carbonitrile
CID 79576804
N-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopropanecarboxamide
CID 113101778
1-chloro-2-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-methylbenzene
CID 2899624

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).