4-(4-ethoxy-3-fluoro-N-methylanilino)cyclohexan-1-ol

C15H22FNO2 — CID 115149430

IUPAC4-(4-ethoxy-3-fluoro-N-methylanilino)cyclohexan-1-ol
SMILESCCOc1ccc(N(C)C2CCC(O)CC2)cc1F
InChIInChI=1S/C15H22FNO2/c1-3-19-15-9-6-12(10-14(15)16)17(2)11-4-7-13(18)8-5-11/h6,9-11,13,18H,3-5,7-8H2,1-2H3
InChIKeyUJSYXVACYIZOEY-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.96
Rot. Bonds4

About 4-(4-ethoxy-3-fluoro-N-methylanilino)cyclohexan-1-ol

4-(4-ethoxy-3-fluoro-N-methylanilino)cyclohexan-1-ol (PubChem CID 115149430) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 4-(4-ethoxy-3-fluoro-N-methylanilino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(4-ethoxy-3-fluoro-N-methylanilino)cyclohexan-1-ol
PubChem CID115149430
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name4-(4-ethoxy-3-fluoro-N-methylanilino)cyclohexan-1-ol
SMILESCCOc1ccc(N(C)C2CCC(O)CC2)cc1F
InChIInChI=1S/C15H22FNO2/c1-3-19-15-9-6-12(10-14(15)16)17(2)11-4-7-13(18)8-5-11/h6,9-11,13,18H,3-5,7-8H2,1-2H3
InChIKeyUJSYXVACYIZOEY-UHFFFAOYSA-N
XLogP2.96
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(4-ethoxy-3-fluoro-N-methylanilino)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-(3-chloro-4-methoxy-N-methylanilino)cyclohexan-1-ol
CID 115149405
4-N-(4-ethoxy-3-methylphenyl)-4-N-methylcyclohexane-1,4-diamine
CID 115149765
2-chloro-N-(4-ethoxy-3-fluorophenyl)-N-methylacetamide
CID 115161900
1-(4-ethoxy-3-fluorophenyl)-3-(4-hydroxycyclohexyl)urea
CID 110900571
3-chloro-N-(4-ethoxy-3-fluorophenyl)-N-methylpropanamide
CID 115162416
4-ethoxy-3-fluoro-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210222
4-amino-N-(4-ethoxy-3-fluorophenyl)-N,2-dimethylbutanamide
CID 115155974
N'-(4-ethoxy-3-fluorophenyl)-2-ethyl-N'-methylpropane-1,3-diamine
CID 115251344
4-N-cyclopentyl-2-ethoxy-4-N-methylbenzene-1,4-diamine
CID 63669956
2-[(4-ethoxy-3-fluoro-N-methylanilino)methyl]butanenitrile
CID 115253656
4-(4-ethoxy-3-fluoro-N-methylanilino)butanoic acid
CID 115218534
4-(3,4-diethoxyphenyl)cyclohexan-1-ol
CID 116989261

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxy-3-fluoro-N-methylanilino)cyclohexan-1-ol?
The IUPAC name of 4-(4-ethoxy-3-fluoro-N-methylanilino)cyclohexan-1-ol (CID 115149430) is 4-(4-ethoxy-3-fluoro-N-methylanilino)cyclohexan-1-ol.
What is the SMILES notation for 4-(4-ethoxy-3-fluoro-N-methylanilino)cyclohexan-1-ol?
The canonical SMILES for 4-(4-ethoxy-3-fluoro-N-methylanilino)cyclohexan-1-ol is CCOc1ccc(N(C)C2CCC(O)CC2)cc1F.
What is the InChIKey of 4-(4-ethoxy-3-fluoro-N-methylanilino)cyclohexan-1-ol?
The InChIKey is UJSYXVACYIZOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-3-19-15-9-6-12(10-14(15)16)17(2)11-4-7-13(18)8-5-11/h6,9-11,13,18H,3-5,7-8H2,1-2H3.
What are the key properties of 4-(4-ethoxy-3-fluoro-N-methylanilino)cyclohexan-1-ol?
4-(4-ethoxy-3-fluoro-N-methylanilino)cyclohexan-1-ol has a molecular weight of 267.34 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxy-3-fluoro-N-methylanilino)cyclohexan-1-ol is sourced from PubChem (CID 115149430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).