5-(3,5-dimethoxyphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine

C17H27NO3 — CID 79865785

IUPAC5-(3,5-dimethoxyphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine
SMILESCCNC1C(Oc2cc(OC)cc(OC)c2)CCC1(C)C
InChIInChI=1S/C17H27NO3/c1-6-18-16-15(7-8-17(16,2)3)21-14-10-12(19-4)9-13(11-14)20-5/h9-11,15-16,18H,6-8H2,1-5H3
InChIKeyDLFQAHBBTJZNJO-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.25
Rot. Bonds6

About 5-(3,5-dimethoxyphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine

5-(3,5-dimethoxyphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine (PubChem CID 79865785) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 5-(3,5-dimethoxyphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name5-(3,5-dimethoxyphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine
PubChem CID79865785
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name5-(3,5-dimethoxyphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine
SMILESCCNC1C(Oc2cc(OC)cc(OC)c2)CCC1(C)C
InChIInChI=1S/C17H27NO3/c1-6-18-16-15(7-8-17(16,2)3)21-14-10-12(19-4)9-13(11-14)20-5/h9-11,15-16,18H,6-8H2,1-5H3
InChIKeyDLFQAHBBTJZNJO-UHFFFAOYSA-N
XLogP3.25
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4-dimethylphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79860446
N-ethyl-2,2-dimethyl-5-(4-propylphenoxy)cyclopentan-1-amine
CID 79856403
N-ethyl-5-[4-(2-methoxyethyl)phenoxy]-2,2-dimethylcyclopentan-1-amine
CID 79865783
N-ethyl-2,2-dimethyl-5-(3-propan-2-ylphenoxy)cyclopentan-1-amine
CID 79860772
N-ethyl-6-(3-fluorophenoxy)-2,2-dimethylcyclohexan-1-amine
CID 79837063
5-(2-butan-2-ylphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79865771
6-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 79836744
5-(4-ethylphenoxy)-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79859799
6-(2,4-difluorophenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 79837054
5-(3,5-difluorophenoxy)-N,2,2-trimethylcyclopentan-1-amine
CID 79857312
6-(2-chloro-4-methylphenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 79834544
N-ethyl-2,2-dimethyl-5-(3-methylbutoxy)cyclopentan-1-amine
CID 79856244

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethoxyphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine?
The IUPAC name of 5-(3,5-dimethoxyphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine (CID 79865785) is 5-(3,5-dimethoxyphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for 5-(3,5-dimethoxyphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine?
The canonical SMILES for 5-(3,5-dimethoxyphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine is CCNC1C(Oc2cc(OC)cc(OC)c2)CCC1(C)C.
What is the InChIKey of 5-(3,5-dimethoxyphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine?
The InChIKey is DLFQAHBBTJZNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-6-18-16-15(7-8-17(16,2)3)21-14-10-12(19-4)9-13(11-14)20-5/h9-11,15-16,18H,6-8H2,1-5H3.
What are the key properties of 5-(3,5-dimethoxyphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine?
5-(3,5-dimethoxyphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine has a molecular weight of 293.41 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethoxyphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 79865785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).