4-(3-ethoxy-4-methoxyanilino)cyclohexan-1-ol

C15H23NO3 — CID 106594039

IUPAC4-(3-ethoxy-4-methoxyanilino)cyclohexan-1-ol
SMILESCCOc1cc(NC2CCC(O)CC2)ccc1OC
InChIInChI=1S/C15H23NO3/c1-3-19-15-10-12(6-9-14(15)18-2)16-11-4-7-13(17)8-5-11/h6,9-11,13,16-17H,3-5,7-8H2,1-2H3
InChIKeyFSHACELWDVPDFV-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.81
Rot. Bonds5

About 4-(3-ethoxy-4-methoxyanilino)cyclohexan-1-ol

4-(3-ethoxy-4-methoxyanilino)cyclohexan-1-ol (PubChem CID 106594039) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 4-(3-ethoxy-4-methoxyanilino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(3-ethoxy-4-methoxyanilino)cyclohexan-1-ol
PubChem CID106594039
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name4-(3-ethoxy-4-methoxyanilino)cyclohexan-1-ol
SMILESCCOc1cc(NC2CCC(O)CC2)ccc1OC
InChIInChI=1S/C15H23NO3/c1-3-19-15-10-12(6-9-14(15)18-2)16-11-4-7-13(17)8-5-11/h6,9-11,13,16-17H,3-5,7-8H2,1-2H3
InChIKeyFSHACELWDVPDFV-UHFFFAOYSA-N
XLogP2.81
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-3-ethoxy-4-methoxyaniline
CID 43729865
4-(3,4-dimethoxyanilino)cyclohexan-1-ol
CID 82539356
4-[4-ethoxy-3-(hydroxymethyl)anilino]cyclohexan-1-ol
CID 106594412
4-(3-ethyl-4-methoxyanilino)cyclohexan-1-ol
CID 115149340
3-ethoxy-4-methoxy-N-(3-methylcyclobutyl)aniline
CID 104860047
N-(3-ethoxy-4-methoxyphenyl)-1-methylazepan-4-amine
CID 65070278
N-(3-ethoxy-4-methoxyphenyl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658448
3-N-(4-ethoxy-3-methoxyphenyl)cyclopentane-1,3-diamine
CID 79461999
N-[4-[(4-hydroxycyclohexyl)amino]-2-methoxyphenyl]acetamide
CID 106593678
N-(3-ethoxy-4-methoxyphenyl)-5-methylthiolan-3-amine
CID 79941817
2-[2-methoxy-5-(piperidin-4-ylamino)phenoxy]ethanol
CID 54906415
N-cyclobutyl-4-ethoxy-3-methylaniline
CID 115884846

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxy-4-methoxyanilino)cyclohexan-1-ol?
The IUPAC name of 4-(3-ethoxy-4-methoxyanilino)cyclohexan-1-ol (CID 106594039) is 4-(3-ethoxy-4-methoxyanilino)cyclohexan-1-ol.
What is the SMILES notation for 4-(3-ethoxy-4-methoxyanilino)cyclohexan-1-ol?
The canonical SMILES for 4-(3-ethoxy-4-methoxyanilino)cyclohexan-1-ol is CCOc1cc(NC2CCC(O)CC2)ccc1OC.
What is the InChIKey of 4-(3-ethoxy-4-methoxyanilino)cyclohexan-1-ol?
The InChIKey is FSHACELWDVPDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-3-19-15-10-12(6-9-14(15)18-2)16-11-4-7-13(17)8-5-11/h6,9-11,13,16-17H,3-5,7-8H2,1-2H3.
What are the key properties of 4-(3-ethoxy-4-methoxyanilino)cyclohexan-1-ol?
4-(3-ethoxy-4-methoxyanilino)cyclohexan-1-ol has a molecular weight of 265.35 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxy-4-methoxyanilino)cyclohexan-1-ol is sourced from PubChem (CID 106594039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).