5-(4-ethylphenoxy)-2,2-dimethyl-N-propylcyclopentan-1-amine

C18H29NO — CID 79859799

IUPAC5-(4-ethylphenoxy)-2,2-dimethyl-N-propylcyclopentan-1-amine
SMILESCCCNC1C(Oc2ccc(CC)cc2)CCC1(C)C
InChIInChI=1S/C18H29NO/c1-5-13-19-17-16(11-12-18(17,3)4)20-15-9-7-14(6-2)8-10-15/h7-10,16-17,19H,5-6,11-13H2,1-4H3
InChIKeyOJJZNPPTQATCOD-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.18
Rot. Bonds6

About 5-(4-ethylphenoxy)-2,2-dimethyl-N-propylcyclopentan-1-amine

5-(4-ethylphenoxy)-2,2-dimethyl-N-propylcyclopentan-1-amine (PubChem CID 79859799) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 5-(4-ethylphenoxy)-2,2-dimethyl-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name5-(4-ethylphenoxy)-2,2-dimethyl-N-propylcyclopentan-1-amine
PubChem CID79859799
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name5-(4-ethylphenoxy)-2,2-dimethyl-N-propylcyclopentan-1-amine
SMILESCCCNC1C(Oc2ccc(CC)cc2)CCC1(C)C
InChIInChI=1S/C18H29NO/c1-5-13-19-17-16(11-12-18(17,3)4)20-15-9-7-14(6-2)8-10-15/h7-10,16-17,19H,5-6,11-13H2,1-4H3
InChIKeyOJJZNPPTQATCOD-UHFFFAOYSA-N
XLogP4.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
5-(3,4-dimethylphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79860446
5-(2-fluoro-3-methylphenoxy)-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 107656973
6-(3-fluoro-4-methylphenoxy)-2,2-dimethyl-N-propylcyclohexan-1-amine
CID 107168928
6-(2,5-dimethylphenoxy)-2,2-dimethyl-N-propylcyclohexan-1-amine
CID 79836581
5-cyclobutyloxy-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79856523
2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]-N-propylcyclopentan-1-amine
CID 79857297
5-(3,5-dimethoxyphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79865785
2,2-dimethyl-N-propyl-5-(2,2,2-trifluoroethoxy)cyclopentan-1-amine
CID 79859877
3-(4-ethylphenoxy)-N-propylcyclohexan-1-amine
CID 79617884
N-ethyl-2,2-dimethyl-5-(3-propan-2-ylphenoxy)cyclopentan-1-amine
CID 79860772

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylphenoxy)-2,2-dimethyl-N-propylcyclopentan-1-amine?
The IUPAC name of 5-(4-ethylphenoxy)-2,2-dimethyl-N-propylcyclopentan-1-amine (CID 79859799) is 5-(4-ethylphenoxy)-2,2-dimethyl-N-propylcyclopentan-1-amine.
What is the SMILES notation for 5-(4-ethylphenoxy)-2,2-dimethyl-N-propylcyclopentan-1-amine?
The canonical SMILES for 5-(4-ethylphenoxy)-2,2-dimethyl-N-propylcyclopentan-1-amine is CCCNC1C(Oc2ccc(CC)cc2)CCC1(C)C.
What is the InChIKey of 5-(4-ethylphenoxy)-2,2-dimethyl-N-propylcyclopentan-1-amine?
The InChIKey is OJJZNPPTQATCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-5-13-19-17-16(11-12-18(17,3)4)20-15-9-7-14(6-2)8-10-15/h7-10,16-17,19H,5-6,11-13H2,1-4H3.
What are the key properties of 5-(4-ethylphenoxy)-2,2-dimethyl-N-propylcyclopentan-1-amine?
5-(4-ethylphenoxy)-2,2-dimethyl-N-propylcyclopentan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylphenoxy)-2,2-dimethyl-N-propylcyclopentan-1-amine is sourced from PubChem (CID 79859799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).