3-[4-[2-(oxan-4-ylamino)ethyl]cyclohexyl]phenol

C19H29NO2 — CID 153338485

IUPAC3-[4-[2-(oxan-4-ylamino)ethyl]cyclohexyl]phenol
SMILESOc1cccc(C2CCC(CCNC3CCOCC3)CC2)c1
InChIInChI=1S/C19H29NO2/c21-19-3-1-2-17(14-19)16-6-4-15(5-7-16)8-11-20-18-9-12-22-13-10-18/h1-3,14-16,18,20-21H,4-13H2
InChIKeyTUKNWXLTOWFKRY-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.82
Rot. Bonds5

About 3-[4-[2-(oxan-4-ylamino)ethyl]cyclohexyl]phenol

3-[4-[2-(oxan-4-ylamino)ethyl]cyclohexyl]phenol (PubChem CID 153338485) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 3-[4-[2-(oxan-4-ylamino)ethyl]cyclohexyl]phenol.

Molecular Properties

Compound Name3-[4-[2-(oxan-4-ylamino)ethyl]cyclohexyl]phenol
PubChem CID153338485
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name3-[4-[2-(oxan-4-ylamino)ethyl]cyclohexyl]phenol
SMILESOc1cccc(C2CCC(CCNC3CCOCC3)CC2)c1
InChIInChI=1S/C19H29NO2/c21-19-3-1-2-17(14-19)16-6-4-15(5-7-16)8-11-20-18-9-12-22-13-10-18/h1-3,14-16,18,20-21H,4-13H2
InChIKeyTUKNWXLTOWFKRY-UHFFFAOYSA-N
XLogP3.82
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[4-[2-(oxan-4-ylamino)ethyl]cyclohexyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(oxan-4-ylamino)ethyl]cyclohexyl]phenol?
The IUPAC name of 3-[4-[2-(oxan-4-ylamino)ethyl]cyclohexyl]phenol (CID 153338485) is 3-[4-[2-(oxan-4-ylamino)ethyl]cyclohexyl]phenol.
What is the SMILES notation for 3-[4-[2-(oxan-4-ylamino)ethyl]cyclohexyl]phenol?
The canonical SMILES for 3-[4-[2-(oxan-4-ylamino)ethyl]cyclohexyl]phenol is Oc1cccc(C2CCC(CCNC3CCOCC3)CC2)c1.
What is the InChIKey of 3-[4-[2-(oxan-4-ylamino)ethyl]cyclohexyl]phenol?
The InChIKey is TUKNWXLTOWFKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c21-19-3-1-2-17(14-19)16-6-4-15(5-7-16)8-11-20-18-9-12-22-13-10-18/h1-3,14-16,18,20-21H,4-13H2.
What are the key properties of 3-[4-[2-(oxan-4-ylamino)ethyl]cyclohexyl]phenol?
3-[4-[2-(oxan-4-ylamino)ethyl]cyclohexyl]phenol has a molecular weight of 303.45 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(oxan-4-ylamino)ethyl]cyclohexyl]phenol is sourced from PubChem (CID 153338485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).