4-[[2-(2-ethoxyphenoxy)ethylamino]methyl]cyclohexan-1-ol

C17H27NO3 — CID 106133459

IUPAC4-[[2-(2-ethoxyphenoxy)ethylamino]methyl]cyclohexan-1-ol
SMILESCCOc1ccccc1OCCNCC1CCC(O)CC1
InChIInChI=1S/C17H27NO3/c1-2-20-16-5-3-4-6-17(16)21-12-11-18-13-14-7-9-15(19)10-8-14/h3-6,14-15,18-19H,2,7-13H2,1H3
InChIKeyQKKCMAZYEMUPFY-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.60
Rot. Bonds8

About 4-[[2-(2-ethoxyphenoxy)ethylamino]methyl]cyclohexan-1-ol

4-[[2-(2-ethoxyphenoxy)ethylamino]methyl]cyclohexan-1-ol (PubChem CID 106133459) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-[[2-(2-ethoxyphenoxy)ethylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-(2-ethoxyphenoxy)ethylamino]methyl]cyclohexan-1-ol
PubChem CID106133459
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name4-[[2-(2-ethoxyphenoxy)ethylamino]methyl]cyclohexan-1-ol
SMILESCCOc1ccccc1OCCNCC1CCC(O)CC1
InChIInChI=1S/C17H27NO3/c1-2-20-16-5-3-4-6-17(16)21-12-11-18-13-14-7-9-15(19)10-8-14/h3-6,14-15,18-19H,2,7-13H2,1H3
InChIKeyQKKCMAZYEMUPFY-UHFFFAOYSA-N
XLogP2.60
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[[2-(2-ethoxyphenoxy)ethylamino]methyl]cyclohexan-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-ethoxyphenoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62571173
N-[(4-chlorocyclohexyl)methyl]-2-(2-methoxyphenoxy)ethanamine
CID 106123587
N-[2-[2-(2-ethoxyphenoxy)ethylamino]ethyl]cyclopropanecarboxamide
CID 115666757
N-[2-(2-ethoxyphenoxy)ethyl]cyclopropanamine;hydrochloride
CID 117068187
2-[[2-(2-ethoxyphenoxy)ethylamino]methyl]phenol
CID 114332030
N-(cyclopentylmethyl)-2-(2,3-dimethylphenoxy)ethanamine
CID 62572121
4-[(2-amino-3-ethoxyanilino)methyl]cyclohexan-1-ol
CID 106120202
N-[2-(2-ethoxyphenoxy)ethyl]pentan-1-amine
CID 62572725
N-[2-(2-ethoxyphenoxy)ethyl]-2-methylpropan-1-amine
CID 62454697
N-(cyclohex-3-en-1-ylmethyl)-2-(2-methoxyphenoxy)ethanamine
CID 60663419
N-(cyclopropylmethyl)-2-(5-fluoro-2-methylphenoxy)ethanamine
CID 102987275
2-(2-butoxyphenoxy)-N-(oxolan-2-ylmethyl)ethanamine;hydrochloride
CID 2995705

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-ethoxyphenoxy)ethylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[2-(2-ethoxyphenoxy)ethylamino]methyl]cyclohexan-1-ol (CID 106133459) is 4-[[2-(2-ethoxyphenoxy)ethylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[2-(2-ethoxyphenoxy)ethylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[2-(2-ethoxyphenoxy)ethylamino]methyl]cyclohexan-1-ol is CCOc1ccccc1OCCNCC1CCC(O)CC1.
What is the InChIKey of 4-[[2-(2-ethoxyphenoxy)ethylamino]methyl]cyclohexan-1-ol?
The InChIKey is QKKCMAZYEMUPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-2-20-16-5-3-4-6-17(16)21-12-11-18-13-14-7-9-15(19)10-8-14/h3-6,14-15,18-19H,2,7-13H2,1H3.
What are the key properties of 4-[[2-(2-ethoxyphenoxy)ethylamino]methyl]cyclohexan-1-ol?
4-[[2-(2-ethoxyphenoxy)ethylamino]methyl]cyclohexan-1-ol has a molecular weight of 293.41 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-ethoxyphenoxy)ethylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106133459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).