2-(3-ethoxyphenoxy)-4-propylcyclohexan-1-amine

C17H27NO2 — CID 62336151

IUPAC2-(3-ethoxyphenoxy)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(Oc2cccc(OCC)c2)C1
InChIInChI=1S/C17H27NO2/c1-3-6-13-9-10-16(18)17(11-13)20-15-8-5-7-14(12-15)19-4-2/h5,7-8,12-13,16-17H,3-4,6,9-11,18H2,1-2H3
InChIKeyKDHXOVKJLAKWMN-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.76
Rot. Bonds6

About 2-(3-ethoxyphenoxy)-4-propylcyclohexan-1-amine

2-(3-ethoxyphenoxy)-4-propylcyclohexan-1-amine (PubChem CID 62336151) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(3-ethoxyphenoxy)-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3-ethoxyphenoxy)-4-propylcyclohexan-1-amine
PubChem CID62336151
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-(3-ethoxyphenoxy)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(Oc2cccc(OCC)c2)C1
InChIInChI=1S/C17H27NO2/c1-3-6-13-9-10-16(18)17(11-13)20-15-8-5-7-14(12-15)19-4-2/h5,7-8,12-13,16-17H,3-4,6,9-11,18H2,1-2H3
InChIKeyKDHXOVKJLAKWMN-UHFFFAOYSA-N
XLogP3.76
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenoxy)-4-propylcyclohexan-1-amine?
The IUPAC name of 2-(3-ethoxyphenoxy)-4-propylcyclohexan-1-amine (CID 62336151) is 2-(3-ethoxyphenoxy)-4-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(3-ethoxyphenoxy)-4-propylcyclohexan-1-amine?
The canonical SMILES for 2-(3-ethoxyphenoxy)-4-propylcyclohexan-1-amine is CCCC1CCC(N)C(Oc2cccc(OCC)c2)C1.
What is the InChIKey of 2-(3-ethoxyphenoxy)-4-propylcyclohexan-1-amine?
The InChIKey is KDHXOVKJLAKWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-6-13-9-10-16(18)17(11-13)20-15-8-5-7-14(12-15)19-4-2/h5,7-8,12-13,16-17H,3-4,6,9-11,18H2,1-2H3.
What are the key properties of 2-(3-ethoxyphenoxy)-4-propylcyclohexan-1-amine?
2-(3-ethoxyphenoxy)-4-propylcyclohexan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenoxy)-4-propylcyclohexan-1-amine is sourced from PubChem (CID 62336151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).