4-(4-propoxyanilino)cyclohexan-1-ol

C15H23NO2 — CID 106594574

IUPAC4-(4-propoxyanilino)cyclohexan-1-ol
SMILESCCCOc1ccc(NC2CCC(O)CC2)cc1
InChIInChI=1S/C15H23NO2/c1-2-11-18-15-9-5-13(6-10-15)16-12-3-7-14(17)8-4-12/h5-6,9-10,12,14,16-17H,2-4,7-8,11H2,1H3
InChIKeyJXMOXSAZSIHBBK-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.19
Rot. Bonds5

About 4-(4-propoxyanilino)cyclohexan-1-ol

4-(4-propoxyanilino)cyclohexan-1-ol (PubChem CID 106594574) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-(4-propoxyanilino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(4-propoxyanilino)cyclohexan-1-ol
PubChem CID106594574
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4-(4-propoxyanilino)cyclohexan-1-ol
SMILESCCCOc1ccc(NC2CCC(O)CC2)cc1
InChIInChI=1S/C15H23NO2/c1-2-11-18-15-9-5-13(6-10-15)16-12-3-7-14(17)8-4-12/h5-6,9-10,12,14,16-17H,2-4,7-8,11H2,1H3
InChIKeyJXMOXSAZSIHBBK-UHFFFAOYSA-N
XLogP3.19
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.19
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-[4-(2-methoxyethoxy)anilino]cyclohexan-1-ol
CID 106594080
4-[4-[2-(dimethylamino)ethoxy]anilino]cyclohexan-1-ol
CID 82539341
N-(4-propoxyphenyl)piperidin-4-amine
CID 62327639
N-(3,4-dimethylcyclohexyl)-4-propoxyaniline
CID 64745627
N-(4-hydroxycyclohexyl)-2-(4-propoxyphenoxy)acetamide
CID 78767377
4-N-(4-ethoxyphenyl)-1-N-methylcyclohexane-1,4-diamine
CID 117027472
1,5-dimethyl-N-(4-propoxyphenyl)pyrrolidin-3-amine
CID 81466938
4-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclohexane-1,4-diamine
CID 79731299
1-cyclopentyl-3-(4-propoxyphenyl)urea
CID 110774502
N-(4-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine
CID 55194098
N-(4-ethoxyphenyl)thian-4-amine
CID 43394937
methyl N-[4-[(4-hydroxycyclohexyl)amino]phenyl]carbamate
CID 106594042

Frequently Asked Questions

What is the IUPAC name of 4-(4-propoxyanilino)cyclohexan-1-ol?
The IUPAC name of 4-(4-propoxyanilino)cyclohexan-1-ol (CID 106594574) is 4-(4-propoxyanilino)cyclohexan-1-ol.
What is the SMILES notation for 4-(4-propoxyanilino)cyclohexan-1-ol?
The canonical SMILES for 4-(4-propoxyanilino)cyclohexan-1-ol is CCCOc1ccc(NC2CCC(O)CC2)cc1.
What is the InChIKey of 4-(4-propoxyanilino)cyclohexan-1-ol?
The InChIKey is JXMOXSAZSIHBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-2-11-18-15-9-5-13(6-10-15)16-12-3-7-14(17)8-4-12/h5-6,9-10,12,14,16-17H,2-4,7-8,11H2,1H3.
What are the key properties of 4-(4-propoxyanilino)cyclohexan-1-ol?
4-(4-propoxyanilino)cyclohexan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propoxyanilino)cyclohexan-1-ol is sourced from PubChem (CID 106594574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).