4-[2-(2,6-dimethylphenoxy)ethylamino]cyclohexan-1-ol

C16H25NO2 — CID 57393382

IUPAC4-[2-(2,6-dimethylphenoxy)ethylamino]cyclohexan-1-ol
SMILESCc1cccc(C)c1OCCNC1CCC(O)CC1
InChIInChI=1S/C16H25NO2/c1-12-4-3-5-13(2)16(12)19-11-10-17-14-6-8-15(18)9-7-14/h3-5,14-15,17-18H,6-11H2,1-2H3
InChIKeyAVSKGWDMYDNRBO-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.58
Rot. Bonds5

About 4-[2-(2,6-dimethylphenoxy)ethylamino]cyclohexan-1-ol

4-[2-(2,6-dimethylphenoxy)ethylamino]cyclohexan-1-ol (PubChem CID 57393382) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-[2-(2,6-dimethylphenoxy)ethylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[2-(2,6-dimethylphenoxy)ethylamino]cyclohexan-1-ol
PubChem CID57393382
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-[2-(2,6-dimethylphenoxy)ethylamino]cyclohexan-1-ol
SMILESCc1cccc(C)c1OCCNC1CCC(O)CC1
InChIInChI=1S/C16H25NO2/c1-12-4-3-5-13(2)16(12)19-11-10-17-14-6-8-15(18)9-7-14/h3-5,14-15,17-18H,6-11H2,1-2H3
InChIKeyAVSKGWDMYDNRBO-UHFFFAOYSA-N
XLogP2.58
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,6-dimethylphenoxy)ethylamino]cyclohexan-1-ol?
The IUPAC name of 4-[2-(2,6-dimethylphenoxy)ethylamino]cyclohexan-1-ol (CID 57393382) is 4-[2-(2,6-dimethylphenoxy)ethylamino]cyclohexan-1-ol.
What is the SMILES notation for 4-[2-(2,6-dimethylphenoxy)ethylamino]cyclohexan-1-ol?
The canonical SMILES for 4-[2-(2,6-dimethylphenoxy)ethylamino]cyclohexan-1-ol is Cc1cccc(C)c1OCCNC1CCC(O)CC1.
What is the InChIKey of 4-[2-(2,6-dimethylphenoxy)ethylamino]cyclohexan-1-ol?
The InChIKey is AVSKGWDMYDNRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-4-3-5-13(2)16(12)19-11-10-17-14-6-8-15(18)9-7-14/h3-5,14-15,17-18H,6-11H2,1-2H3.
What are the key properties of 4-[2-(2,6-dimethylphenoxy)ethylamino]cyclohexan-1-ol?
4-[2-(2,6-dimethylphenoxy)ethylamino]cyclohexan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,6-dimethylphenoxy)ethylamino]cyclohexan-1-ol is sourced from PubChem (CID 57393382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).