3-[3-(cyclohexyloxymethyl)anilino]propan-1-ol

C16H25NO2 — CID 75426123

IUPAC3-[3-(cyclohexyloxymethyl)anilino]propan-1-ol
SMILESOCCCNc1cccc(COC2CCCCC2)c1
InChIInChI=1S/C16H25NO2/c18-11-5-10-17-15-7-4-6-14(12-15)13-19-16-8-2-1-3-9-16/h4,6-7,12,16-18H,1-3,5,8-11,13H2
InChIKeyKAVXOOSGLSYJSK-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.33
Rot. Bonds7

About 3-[3-(cyclohexyloxymethyl)anilino]propan-1-ol

3-[3-(cyclohexyloxymethyl)anilino]propan-1-ol (PubChem CID 75426123) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[3-(cyclohexyloxymethyl)anilino]propan-1-ol.

Molecular Properties

Compound Name3-[3-(cyclohexyloxymethyl)anilino]propan-1-ol
PubChem CID75426123
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-[3-(cyclohexyloxymethyl)anilino]propan-1-ol
SMILESOCCCNc1cccc(COC2CCCCC2)c1
InChIInChI=1S/C16H25NO2/c18-11-5-10-17-15-7-4-6-14(12-15)13-19-16-8-2-1-3-9-16/h4,6-7,12,16-18H,1-3,5,8-11,13H2
InChIKeyKAVXOOSGLSYJSK-UHFFFAOYSA-N
XLogP3.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.33
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 3-[3-(cyclohexyloxymethyl)anilino]propan-1-ol?
The IUPAC name of 3-[3-(cyclohexyloxymethyl)anilino]propan-1-ol (CID 75426123) is 3-[3-(cyclohexyloxymethyl)anilino]propan-1-ol.
What is the SMILES notation for 3-[3-(cyclohexyloxymethyl)anilino]propan-1-ol?
The canonical SMILES for 3-[3-(cyclohexyloxymethyl)anilino]propan-1-ol is OCCCNc1cccc(COC2CCCCC2)c1.
What is the InChIKey of 3-[3-(cyclohexyloxymethyl)anilino]propan-1-ol?
The InChIKey is KAVXOOSGLSYJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c18-11-5-10-17-15-7-4-6-14(12-15)13-19-16-8-2-1-3-9-16/h4,6-7,12,16-18H,1-3,5,8-11,13H2.
What are the key properties of 3-[3-(cyclohexyloxymethyl)anilino]propan-1-ol?
3-[3-(cyclohexyloxymethyl)anilino]propan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclohexyloxymethyl)anilino]propan-1-ol is sourced from PubChem (CID 75426123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).