N-ethyl-5-[4-(2-methoxyethyl)phenoxy]-2,2-dimethylcyclopentan-1-amine

C18H29NO2 — CID 79865783

IUPACN-ethyl-5-[4-(2-methoxyethyl)phenoxy]-2,2-dimethylcyclopentan-1-amine
SMILESCCNC1C(Oc2ccc(CCOC)cc2)CCC1(C)C
InChIInChI=1S/C18H29NO2/c1-5-19-17-16(10-12-18(17,2)3)21-15-8-6-14(7-9-15)11-13-20-4/h6-9,16-17,19H,5,10-13H2,1-4H3
InChIKeyAKOHBSQBDICRSO-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.42
Rot. Bonds7

About N-ethyl-5-[4-(2-methoxyethyl)phenoxy]-2,2-dimethylcyclopentan-1-amine

N-ethyl-5-[4-(2-methoxyethyl)phenoxy]-2,2-dimethylcyclopentan-1-amine (PubChem CID 79865783) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-ethyl-5-[4-(2-methoxyethyl)phenoxy]-2,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-5-[4-(2-methoxyethyl)phenoxy]-2,2-dimethylcyclopentan-1-amine
PubChem CID79865783
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-ethyl-5-[4-(2-methoxyethyl)phenoxy]-2,2-dimethylcyclopentan-1-amine
SMILESCCNC1C(Oc2ccc(CCOC)cc2)CCC1(C)C
InChIInChI=1S/C18H29NO2/c1-5-19-17-16(10-12-18(17,2)3)21-15-8-6-14(7-9-15)11-13-20-4/h6-9,16-17,19H,5,10-13H2,1-4H3
InChIKeyAKOHBSQBDICRSO-UHFFFAOYSA-N
XLogP3.42
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-5-[4-(2-methoxyethyl)phenoxy]-2,2-dimethylcyclopentan-1-amine with MolForge

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Related Compounds

N-ethyl-2,2-dimethyl-5-(4-propylphenoxy)cyclopentan-1-amine
CID 79856403
5-[4-(2-methoxyethyl)phenoxy]-2,2-dimethylcyclopentan-1-amine
CID 79857865
5-(3,5-dimethoxyphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79865785
5-(4-ethylphenoxy)-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79859799
5-(3,4-dimethylphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79860446
N-ethyl-2,2-dimethyl-5-(3-propan-2-ylphenoxy)cyclopentan-1-amine
CID 79860772
5-(2-butan-2-ylphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79865771
[2-[4-(2-methoxyethyl)phenoxy]cyclohexyl]methanamine
CID 43294234
[2-[4-(2-methoxyethyl)phenoxy]cyclopentyl]methanamine
CID 43294230
N-ethyl-6-(3-fluorophenoxy)-2,2-dimethylcyclohexan-1-amine
CID 79837063
N-ethyl-2,2-dimethyl-5-(3-methylbutoxy)cyclopentan-1-amine
CID 79856244
3-[4-(2-methoxyethyl)phenoxy]-N-methylcyclopentan-1-amine
CID 79642909

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[4-(2-methoxyethyl)phenoxy]-2,2-dimethylcyclopentan-1-amine?
The IUPAC name of N-ethyl-5-[4-(2-methoxyethyl)phenoxy]-2,2-dimethylcyclopentan-1-amine (CID 79865783) is N-ethyl-5-[4-(2-methoxyethyl)phenoxy]-2,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-ethyl-5-[4-(2-methoxyethyl)phenoxy]-2,2-dimethylcyclopentan-1-amine?
The canonical SMILES for N-ethyl-5-[4-(2-methoxyethyl)phenoxy]-2,2-dimethylcyclopentan-1-amine is CCNC1C(Oc2ccc(CCOC)cc2)CCC1(C)C.
What is the InChIKey of N-ethyl-5-[4-(2-methoxyethyl)phenoxy]-2,2-dimethylcyclopentan-1-amine?
The InChIKey is AKOHBSQBDICRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-5-19-17-16(10-12-18(17,2)3)21-15-8-6-14(7-9-15)11-13-20-4/h6-9,16-17,19H,5,10-13H2,1-4H3.
What are the key properties of N-ethyl-5-[4-(2-methoxyethyl)phenoxy]-2,2-dimethylcyclopentan-1-amine?
N-ethyl-5-[4-(2-methoxyethyl)phenoxy]-2,2-dimethylcyclopentan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[4-(2-methoxyethyl)phenoxy]-2,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 79865783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).