4-[4-(2-methoxyethoxy)anilino]cyclohexan-1-ol

C15H23NO3 — CID 106594080

IUPAC4-[4-(2-methoxyethoxy)anilino]cyclohexan-1-ol
SMILESCOCCOc1ccc(NC2CCC(O)CC2)cc1
InChIInChI=1S/C15H23NO3/c1-18-10-11-19-15-8-4-13(5-9-15)16-12-2-6-14(17)7-3-12/h4-5,8-9,12,14,16-17H,2-3,6-7,10-11H2,1H3
InChIKeyYQHSKSZUUQTZDF-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.43
Rot. Bonds6

About 4-[4-(2-methoxyethoxy)anilino]cyclohexan-1-ol

4-[4-(2-methoxyethoxy)anilino]cyclohexan-1-ol (PubChem CID 106594080) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 4-[4-(2-methoxyethoxy)anilino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[4-(2-methoxyethoxy)anilino]cyclohexan-1-ol
PubChem CID106594080
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name4-[4-(2-methoxyethoxy)anilino]cyclohexan-1-ol
SMILESCOCCOc1ccc(NC2CCC(O)CC2)cc1
InChIInChI=1S/C15H23NO3/c1-18-10-11-19-15-8-4-13(5-9-15)16-12-2-6-14(17)7-3-12/h4-5,8-9,12,14,16-17H,2-3,6-7,10-11H2,1H3
InChIKeyYQHSKSZUUQTZDF-UHFFFAOYSA-N
XLogP2.43
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[4-(2-methoxyethoxy)anilino]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

4-(4-propoxyanilino)cyclohexan-1-ol
CID 106594574
4-[4-[2-(dimethylamino)ethoxy]anilino]cyclohexan-1-ol
CID 82539341
1-N-[4-(2-methoxyethoxy)phenyl]cyclobutane-1,3-diamine
CID 80560810
N-(3,3-dimethylcyclopentyl)-4-(2-methoxyethoxy)aniline
CID 80705000
N-cyclopropyl-3-(2-methoxyethoxy)aniline
CID 103439187
methyl N-[4-[(4-hydroxycyclohexyl)amino]phenyl]carbamate
CID 106594042
N-[4-(2-methoxyethoxy)phenyl]-5-methylthiolan-3-amine
CID 79942281
methyl 2-[4-(cyclooctylamino)phenoxy]acetate
CID 43676794
1-cycloheptyl-3-[4-(2-methoxyethoxy)phenyl]urea
CID 47033897
4-N-(4-ethoxyphenyl)-1-N-methylcyclohexane-1,4-diamine
CID 117027472
1-ethyl-3-(4-hydroxycyclohexyl)-2-[[4-(2-methoxyethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111189227
N-[3-(2-methoxyethoxy)phenyl]cycloheptanamine
CID 54864785

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyethoxy)anilino]cyclohexan-1-ol?
The IUPAC name of 4-[4-(2-methoxyethoxy)anilino]cyclohexan-1-ol (CID 106594080) is 4-[4-(2-methoxyethoxy)anilino]cyclohexan-1-ol.
What is the SMILES notation for 4-[4-(2-methoxyethoxy)anilino]cyclohexan-1-ol?
The canonical SMILES for 4-[4-(2-methoxyethoxy)anilino]cyclohexan-1-ol is COCCOc1ccc(NC2CCC(O)CC2)cc1.
What is the InChIKey of 4-[4-(2-methoxyethoxy)anilino]cyclohexan-1-ol?
The InChIKey is YQHSKSZUUQTZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-18-10-11-19-15-8-4-13(5-9-15)16-12-2-6-14(17)7-3-12/h4-5,8-9,12,14,16-17H,2-3,6-7,10-11H2,1H3.
What are the key properties of 4-[4-(2-methoxyethoxy)anilino]cyclohexan-1-ol?
4-[4-(2-methoxyethoxy)anilino]cyclohexan-1-ol has a molecular weight of 265.35 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyethoxy)anilino]cyclohexan-1-ol is sourced from PubChem (CID 106594080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).