3-(2-ethoxyphenoxy)-N-methylcyclohexan-1-amine

C15H23NO2 — CID 79619308

IUPAC3-(2-ethoxyphenoxy)-N-methylcyclohexan-1-amine
SMILESCCOc1ccccc1OC1CCCC(NC)C1
InChIInChI=1S/C15H23NO2/c1-3-17-14-9-4-5-10-15(14)18-13-8-6-7-12(11-13)16-2/h4-5,9-10,12-13,16H,3,6-8,11H2,1-2H3
InChIKeyMCTCXFJMBDSSGS-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.99
Rot. Bonds5

About 3-(2-ethoxyphenoxy)-N-methylcyclohexan-1-amine

3-(2-ethoxyphenoxy)-N-methylcyclohexan-1-amine (PubChem CID 79619308) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-(2-ethoxyphenoxy)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name3-(2-ethoxyphenoxy)-N-methylcyclohexan-1-amine
PubChem CID79619308
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-(2-ethoxyphenoxy)-N-methylcyclohexan-1-amine
SMILESCCOc1ccccc1OC1CCCC(NC)C1
InChIInChI=1S/C15H23NO2/c1-3-17-14-9-4-5-10-15(14)18-13-8-6-7-12(11-13)16-2/h4-5,9-10,12-13,16H,3,6-8,11H2,1-2H3
InChIKeyMCTCXFJMBDSSGS-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenoxy)-N-methylcyclohexan-1-amine?
The IUPAC name of 3-(2-ethoxyphenoxy)-N-methylcyclohexan-1-amine (CID 79619308) is 3-(2-ethoxyphenoxy)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 3-(2-ethoxyphenoxy)-N-methylcyclohexan-1-amine?
The canonical SMILES for 3-(2-ethoxyphenoxy)-N-methylcyclohexan-1-amine is CCOc1ccccc1OC1CCCC(NC)C1.
What is the InChIKey of 3-(2-ethoxyphenoxy)-N-methylcyclohexan-1-amine?
The InChIKey is MCTCXFJMBDSSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-17-14-9-4-5-10-15(14)18-13-8-6-7-12(11-13)16-2/h4-5,9-10,12-13,16H,3,6-8,11H2,1-2H3.
What are the key properties of 3-(2-ethoxyphenoxy)-N-methylcyclohexan-1-amine?
3-(2-ethoxyphenoxy)-N-methylcyclohexan-1-amine has a molecular weight of 249.35 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenoxy)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 79619308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).