1-[1-(4-methoxyphenyl)-2-(methylamino)ethyl]cyclohexan-1-ol

C16H25NO2 — CID 3501942

IUPAC1-[1-(4-methoxyphenyl)-2-(methylamino)ethyl]cyclohexan-1-ol
SMILESCNCC(c1ccc(OC)cc1)C1(O)CCCCC1
InChIInChI=1S/C16H25NO2/c1-17-12-15(16(18)10-4-3-5-11-16)13-6-8-14(19-2)9-7-13/h6-9,15,17-18H,3-5,10-12H2,1-2H3
InChIKeyMKAFOJAJJMUXLW-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.69
Rot. Bonds5

About 1-[1-(4-methoxyphenyl)-2-(methylamino)ethyl]cyclohexan-1-ol

1-[1-(4-methoxyphenyl)-2-(methylamino)ethyl]cyclohexan-1-ol (PubChem CID 3501942) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)-2-(methylamino)ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)-2-(methylamino)ethyl]cyclohexan-1-ol
PubChem CID3501942
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[1-(4-methoxyphenyl)-2-(methylamino)ethyl]cyclohexan-1-ol
SMILESCNCC(c1ccc(OC)cc1)C1(O)CCCCC1
InChIInChI=1S/C16H25NO2/c1-17-12-15(16(18)10-4-3-5-11-16)13-6-8-14(19-2)9-7-13/h6-9,15,17-18H,3-5,10-12H2,1-2H3
InChIKeyMKAFOJAJJMUXLW-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)-2-(methylamino)ethyl]cyclohexan-1-ol?
The IUPAC name of 1-[1-(4-methoxyphenyl)-2-(methylamino)ethyl]cyclohexan-1-ol (CID 3501942) is 1-[1-(4-methoxyphenyl)-2-(methylamino)ethyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)-2-(methylamino)ethyl]cyclohexan-1-ol?
The canonical SMILES for 1-[1-(4-methoxyphenyl)-2-(methylamino)ethyl]cyclohexan-1-ol is CNCC(c1ccc(OC)cc1)C1(O)CCCCC1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)-2-(methylamino)ethyl]cyclohexan-1-ol?
The InChIKey is MKAFOJAJJMUXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-17-12-15(16(18)10-4-3-5-11-16)13-6-8-14(19-2)9-7-13/h6-9,15,17-18H,3-5,10-12H2,1-2H3.
What are the key properties of 1-[1-(4-methoxyphenyl)-2-(methylamino)ethyl]cyclohexan-1-ol?
1-[1-(4-methoxyphenyl)-2-(methylamino)ethyl]cyclohexan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)-2-(methylamino)ethyl]cyclohexan-1-ol is sourced from PubChem (CID 3501942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).