5-(3,4-dimethylphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine

C17H27NO — CID 79860446

IUPAC5-(3,4-dimethylphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine
SMILESCCNC1C(Oc2ccc(C)c(C)c2)CCC1(C)C
InChIInChI=1S/C17H27NO/c1-6-18-16-15(9-10-17(16,4)5)19-14-8-7-12(2)13(3)11-14/h7-8,11,15-16,18H,6,9-10H2,1-5H3
InChIKeyLHZSGDZOYHSBNQ-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.85
Rot. Bonds4

About 5-(3,4-dimethylphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine

5-(3,4-dimethylphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine (PubChem CID 79860446) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 5-(3,4-dimethylphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name5-(3,4-dimethylphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine
PubChem CID79860446
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name5-(3,4-dimethylphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine
SMILESCCNC1C(Oc2ccc(C)c(C)c2)CCC1(C)C
InChIInChI=1S/C17H27NO/c1-6-18-16-15(9-10-17(16,4)5)19-14-8-7-12(2)13(3)11-14/h7-8,11,15-16,18H,6,9-10H2,1-5H3
InChIKeyLHZSGDZOYHSBNQ-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine?
The IUPAC name of 5-(3,4-dimethylphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine (CID 79860446) is 5-(3,4-dimethylphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for 5-(3,4-dimethylphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine?
The canonical SMILES for 5-(3,4-dimethylphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine is CCNC1C(Oc2ccc(C)c(C)c2)CCC1(C)C.
What is the InChIKey of 5-(3,4-dimethylphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine?
The InChIKey is LHZSGDZOYHSBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-6-18-16-15(9-10-17(16,4)5)19-14-8-7-12(2)13(3)11-14/h7-8,11,15-16,18H,6,9-10H2,1-5H3.
What are the key properties of 5-(3,4-dimethylphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine?
5-(3,4-dimethylphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 79860446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).