4-[4-ethoxy-3-(hydroxymethyl)anilino]cyclohexan-1-ol

C15H23NO3 — CID 106594412

IUPAC4-[4-ethoxy-3-(hydroxymethyl)anilino]cyclohexan-1-ol
SMILESCCOc1ccc(NC2CCC(O)CC2)cc1CO
InChIInChI=1S/C15H23NO3/c1-2-19-15-8-5-13(9-11(15)10-17)16-12-3-6-14(18)7-4-12/h5,8-9,12,14,16-18H,2-4,6-7,10H2,1H3
InChIKeyMUOGCEPUUQIZJY-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.29
Rot. Bonds5

About 4-[4-ethoxy-3-(hydroxymethyl)anilino]cyclohexan-1-ol

4-[4-ethoxy-3-(hydroxymethyl)anilino]cyclohexan-1-ol (PubChem CID 106594412) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 4-[4-ethoxy-3-(hydroxymethyl)anilino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[4-ethoxy-3-(hydroxymethyl)anilino]cyclohexan-1-ol
PubChem CID106594412
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name4-[4-ethoxy-3-(hydroxymethyl)anilino]cyclohexan-1-ol
SMILESCCOc1ccc(NC2CCC(O)CC2)cc1CO
InChIInChI=1S/C15H23NO3/c1-2-19-15-8-5-13(9-11(15)10-17)16-12-3-6-14(18)7-4-12/h5,8-9,12,14,16-18H,2-4,6-7,10H2,1H3
InChIKeyMUOGCEPUUQIZJY-UHFFFAOYSA-N
XLogP2.29
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.29
H-Bond Donors ≤ 53
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

[2-ethoxy-5-[(4-propan-2-ylcyclohexyl)amino]phenyl]methanol
CID 62708979
[2-ethoxy-5-[(3-methylcyclopentyl)amino]phenyl]methanol
CID 64500267
4-(3-ethoxy-4-methoxyanilino)cyclohexan-1-ol
CID 106594039
[2-ethoxy-5-(pyrrolidin-3-ylamino)phenyl]methanol
CID 79730547
4-(3-ethyl-4-methoxyanilino)cyclohexan-1-ol
CID 115149340
[5-(cyclopentylamino)-2-methoxyphenyl]methanol
CID 115744113
[5-[(2,2-dimethylcyclopentyl)amino]-2-ethoxyphenyl]methanol
CID 79860686
N-cyclopropyl-2-[4-ethoxy-3-(hydroxymethyl)anilino]propanamide
CID 111629887
4-(3,4-dimethoxyanilino)cyclohexan-1-ol
CID 82539356
[2-ethoxy-5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenyl]methanol
CID 64851150
N-cyclobutyl-4-ethoxy-3-methylaniline
CID 115884846
N-cyclopentyl-3-ethoxy-4-methoxyaniline
CID 43729865

Frequently Asked Questions

What is the IUPAC name of 4-[4-ethoxy-3-(hydroxymethyl)anilino]cyclohexan-1-ol?
The IUPAC name of 4-[4-ethoxy-3-(hydroxymethyl)anilino]cyclohexan-1-ol (CID 106594412) is 4-[4-ethoxy-3-(hydroxymethyl)anilino]cyclohexan-1-ol.
What is the SMILES notation for 4-[4-ethoxy-3-(hydroxymethyl)anilino]cyclohexan-1-ol?
The canonical SMILES for 4-[4-ethoxy-3-(hydroxymethyl)anilino]cyclohexan-1-ol is CCOc1ccc(NC2CCC(O)CC2)cc1CO.
What is the InChIKey of 4-[4-ethoxy-3-(hydroxymethyl)anilino]cyclohexan-1-ol?
The InChIKey is MUOGCEPUUQIZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-2-19-15-8-5-13(9-11(15)10-17)16-12-3-6-14(18)7-4-12/h5,8-9,12,14,16-18H,2-4,6-7,10H2,1H3.
What are the key properties of 4-[4-ethoxy-3-(hydroxymethyl)anilino]cyclohexan-1-ol?
4-[4-ethoxy-3-(hydroxymethyl)anilino]cyclohexan-1-ol has a molecular weight of 265.35 g/mol, XLogP of 2.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-ethoxy-3-(hydroxymethyl)anilino]cyclohexan-1-ol is sourced from PubChem (CID 106594412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).