4-[3-(2-methylpropoxy)anilino]cyclohexan-1-ol

C16H25NO2 — CID 106594336

IUPAC4-[3-(2-methylpropoxy)anilino]cyclohexan-1-ol
SMILESCC(C)COc1cccc(NC2CCC(O)CC2)c1
InChIInChI=1S/C16H25NO2/c1-12(2)11-19-16-5-3-4-14(10-16)17-13-6-8-15(18)9-7-13/h3-5,10,12-13,15,17-18H,6-9,11H2,1-2H3
InChIKeyQWMAESMOCMIKOE-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.44
Rot. Bonds5

About 4-[3-(2-methylpropoxy)anilino]cyclohexan-1-ol

4-[3-(2-methylpropoxy)anilino]cyclohexan-1-ol (PubChem CID 106594336) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-[3-(2-methylpropoxy)anilino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[3-(2-methylpropoxy)anilino]cyclohexan-1-ol
PubChem CID106594336
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-[3-(2-methylpropoxy)anilino]cyclohexan-1-ol
SMILESCC(C)COc1cccc(NC2CCC(O)CC2)c1
InChIInChI=1S/C16H25NO2/c1-12(2)11-19-16-5-3-4-14(10-16)17-13-6-8-15(18)9-7-13/h3-5,10,12-13,15,17-18H,6-9,11H2,1-2H3
InChIKeyQWMAESMOCMIKOE-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methylpropoxy)anilino]cyclohexan-1-ol?
The IUPAC name of 4-[3-(2-methylpropoxy)anilino]cyclohexan-1-ol (CID 106594336) is 4-[3-(2-methylpropoxy)anilino]cyclohexan-1-ol.
What is the SMILES notation for 4-[3-(2-methylpropoxy)anilino]cyclohexan-1-ol?
The canonical SMILES for 4-[3-(2-methylpropoxy)anilino]cyclohexan-1-ol is CC(C)COc1cccc(NC2CCC(O)CC2)c1.
What is the InChIKey of 4-[3-(2-methylpropoxy)anilino]cyclohexan-1-ol?
The InChIKey is QWMAESMOCMIKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(2)11-19-16-5-3-4-14(10-16)17-13-6-8-15(18)9-7-13/h3-5,10,12-13,15,17-18H,6-9,11H2,1-2H3.
What are the key properties of 4-[3-(2-methylpropoxy)anilino]cyclohexan-1-ol?
4-[3-(2-methylpropoxy)anilino]cyclohexan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methylpropoxy)anilino]cyclohexan-1-ol is sourced from PubChem (CID 106594336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).