2-[2-[4-(cyclohexylmethoxy)phenoxy]quinolin-6-yl]ethanamine

C24H28N2O2 — CID 68758014

IUPAC2-[2-[4-(cyclohexylmethoxy)phenoxy]quinolin-6-yl]ethanamine
SMILESNCCc1ccc2nc(Oc3ccc(OCC4CCCCC4)cc3)ccc2c1
InChIInChI=1S/C24H28N2O2/c25-15-14-18-6-12-23-20(16-18)7-13-24(26-23)28-22-10-8-21(9-11-22)27-17-19-4-2-1-3-5-19/h6-13,16,19H,1-5,14-15,17,25H2
InChIKeyYYPRHCFKZGAFRU-UHFFFAOYSA-N
MW376.50 g/mol
LogP5.49
Rot. Bonds7

About 2-[2-[4-(cyclohexylmethoxy)phenoxy]quinolin-6-yl]ethanamine

2-[2-[4-(cyclohexylmethoxy)phenoxy]quinolin-6-yl]ethanamine (PubChem CID 68758014) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-[2-[4-(cyclohexylmethoxy)phenoxy]quinolin-6-yl]ethanamine.

Molecular Properties

Compound Name2-[2-[4-(cyclohexylmethoxy)phenoxy]quinolin-6-yl]ethanamine
PubChem CID68758014
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name2-[2-[4-(cyclohexylmethoxy)phenoxy]quinolin-6-yl]ethanamine
SMILESNCCc1ccc2nc(Oc3ccc(OCC4CCCCC4)cc3)ccc2c1
InChIInChI=1S/C24H28N2O2/c25-15-14-18-6-12-23-20(16-18)7-13-24(26-23)28-22-10-8-21(9-11-22)27-17-19-4-2-1-3-5-19/h6-13,16,19H,1-5,14-15,17,25H2
InChIKeyYYPRHCFKZGAFRU-UHFFFAOYSA-N
XLogP5.49
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(cyclohexylmethoxy)phenoxy]quinolin-6-yl]ethanamine?
The IUPAC name of 2-[2-[4-(cyclohexylmethoxy)phenoxy]quinolin-6-yl]ethanamine (CID 68758014) is 2-[2-[4-(cyclohexylmethoxy)phenoxy]quinolin-6-yl]ethanamine.
What is the SMILES notation for 2-[2-[4-(cyclohexylmethoxy)phenoxy]quinolin-6-yl]ethanamine?
The canonical SMILES for 2-[2-[4-(cyclohexylmethoxy)phenoxy]quinolin-6-yl]ethanamine is NCCc1ccc2nc(Oc3ccc(OCC4CCCCC4)cc3)ccc2c1.
What is the InChIKey of 2-[2-[4-(cyclohexylmethoxy)phenoxy]quinolin-6-yl]ethanamine?
The InChIKey is YYPRHCFKZGAFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c25-15-14-18-6-12-23-20(16-18)7-13-24(26-23)28-22-10-8-21(9-11-22)27-17-19-4-2-1-3-5-19/h6-13,16,19H,1-5,14-15,17,25H2.
What are the key properties of 2-[2-[4-(cyclohexylmethoxy)phenoxy]quinolin-6-yl]ethanamine?
2-[2-[4-(cyclohexylmethoxy)phenoxy]quinolin-6-yl]ethanamine has a molecular weight of 376.50 g/mol, XLogP of 5.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(cyclohexylmethoxy)phenoxy]quinolin-6-yl]ethanamine is sourced from PubChem (CID 68758014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).