2-[2-(3-ethylphenoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile

C17H24N2O — CID 79573048

IUPAC2-[2-(3-ethylphenoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
SMILESCCc1cccc(OCCC2CCCC2(C#N)NC)c1
InChIInChI=1S/C17H24N2O/c1-3-14-6-4-8-16(12-14)20-11-9-15-7-5-10-17(15,13-18)19-2/h4,6,8,12,15,19H,3,5,7,9-11H2,1-2H3
InChIKeyYXCBYLPUABOGKE-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.30
Rot. Bonds6

About 2-[2-(3-ethylphenoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile

2-[2-(3-ethylphenoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile (PubChem CID 79573048) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[2-(3-ethylphenoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[2-(3-ethylphenoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
PubChem CID79573048
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-[2-(3-ethylphenoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
SMILESCCc1cccc(OCCC2CCCC2(C#N)NC)c1
InChIInChI=1S/C17H24N2O/c1-3-14-6-4-8-16(12-14)20-11-9-15-7-5-10-17(15,13-18)19-2/h4,6,8,12,15,19H,3,5,7,9-11H2,1-2H3
InChIKeyYXCBYLPUABOGKE-UHFFFAOYSA-N
XLogP3.30
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(methylamino)-2-[2-(2,4,6-trimethylphenoxy)ethyl]cyclopentane-1-carbonitrile
CID 79576909
2-[2-(4-methylphenoxy)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79576518
2-[2-(3-ethylphenoxy)ethyl]-1-methylpiperidine
CID 103616830
(2S)-2-[2-(3-ethylphenoxy)ethyl]piperidine
CID 28749803
2-[2-(cyclopentylmethoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79576565
1-[2-(3-ethylphenoxy)ethyl]cyclopentan-1-amine
CID 28917907
N-[3-(3-ethylphenoxy)propyl]cyclohexanamine
CID 62598986
2-(3-ethylphenoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62597949
2-[2-(cyclohexylmethoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79578007
3-(3-ethylphenoxy)-N-methylpropanamide
CID 64763281
[1-(ethylamino)-2-[2-(3-methoxyphenoxy)ethyl]cyclopentyl]methanol
CID 79586887
1-(3-ethoxypropoxy)-3-ethylbenzene
CID 65178127

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-ethylphenoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-[2-(3-ethylphenoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile (CID 79573048) is 2-[2-(3-ethylphenoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[2-(3-ethylphenoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[2-(3-ethylphenoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile is CCc1cccc(OCCC2CCCC2(C#N)NC)c1.
What is the InChIKey of 2-[2-(3-ethylphenoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile?
The InChIKey is YXCBYLPUABOGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-3-14-6-4-8-16(12-14)20-11-9-15-7-5-10-17(15,13-18)19-2/h4,6,8,12,15,19H,3,5,7,9-11H2,1-2H3.
What are the key properties of 2-[2-(3-ethylphenoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile?
2-[2-(3-ethylphenoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile has a molecular weight of 272.39 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-ethylphenoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79573048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).