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

C15H23NO2 — CID 115149340

IUPAC4-(3-ethyl-4-methoxyanilino)cyclohexan-1-ol
SMILESCCc1cc(NC2CCC(O)CC2)ccc1OC
InChIInChI=1S/C15H23NO2/c1-3-11-10-13(6-9-15(11)18-2)16-12-4-7-14(17)8-5-12/h6,9-10,12,14,16-17H,3-5,7-8H2,1-2H3
InChIKeyVLSFUMPXBDBXRZ-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.97
Rot. Bonds4

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

4-(3-ethyl-4-methoxyanilino)cyclohexan-1-ol (PubChem CID 115149340) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-(3-ethyl-4-methoxyanilino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(3-ethyl-4-methoxyanilino)cyclohexan-1-ol
PubChem CID115149340
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4-(3-ethyl-4-methoxyanilino)cyclohexan-1-ol
SMILESCCc1cc(NC2CCC(O)CC2)ccc1OC
InChIInChI=1S/C15H23NO2/c1-3-11-10-13(6-9-15(11)18-2)16-12-4-7-14(17)8-5-12/h6,9-10,12,14,16-17H,3-5,7-8H2,1-2H3
InChIKeyVLSFUMPXBDBXRZ-UHFFFAOYSA-N
XLogP2.97
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3,4-dimethoxyanilino)cyclohexan-1-ol
CID 82539356
4-(3-ethoxy-4-methoxyanilino)cyclohexan-1-ol
CID 106594039
4-[4-ethoxy-3-(hydroxymethyl)anilino]cyclohexan-1-ol
CID 106594412
[5-(cyclopentylamino)-2-methoxyphenyl]methanol
CID 115744113
N-[4-[(4-hydroxycyclohexyl)amino]-2-methoxyphenyl]acetamide
CID 106593678
N-cyclopropyl-3-ethyl-4-methoxybenzamide
CID 110761892
N-cyclopentyl-3-ethoxy-4-methoxyaniline
CID 43729865
4-[(2-methoxy-5-methylphenyl)methylamino]cyclohexan-1-ol
CID 43406651
methyl N-[4-[(4-hydroxycyclohexyl)amino]phenyl]carbamate
CID 106594042
4-(5-bromo-2-methoxyanilino)cyclohexan-1-ol
CID 106594504
methyl 2-fluoro-5-[(4-hydroxycyclohexyl)amino]benzoate
CID 106593918
N-[2-(3-ethyl-4-methoxyphenyl)ethyl]cyclopropanamine
CID 94682821

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-4-methoxyanilino)cyclohexan-1-ol?
The IUPAC name of 4-(3-ethyl-4-methoxyanilino)cyclohexan-1-ol (CID 115149340) is 4-(3-ethyl-4-methoxyanilino)cyclohexan-1-ol.
What is the SMILES notation for 4-(3-ethyl-4-methoxyanilino)cyclohexan-1-ol?
The canonical SMILES for 4-(3-ethyl-4-methoxyanilino)cyclohexan-1-ol is CCc1cc(NC2CCC(O)CC2)ccc1OC.
What is the InChIKey of 4-(3-ethyl-4-methoxyanilino)cyclohexan-1-ol?
The InChIKey is VLSFUMPXBDBXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-11-10-13(6-9-15(11)18-2)16-12-4-7-14(17)8-5-12/h6,9-10,12,14,16-17H,3-5,7-8H2,1-2H3.
What are the key properties of 4-(3-ethyl-4-methoxyanilino)cyclohexan-1-ol?
4-(3-ethyl-4-methoxyanilino)cyclohexan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-4-methoxyanilino)cyclohexan-1-ol is sourced from PubChem (CID 115149340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).