4-[1-(2-cyclohexylethylamino)ethyl]-2-methoxyphenol

C17H27NO2 — CID 60919457

IUPAC4-[1-(2-cyclohexylethylamino)ethyl]-2-methoxyphenol
SMILESCOc1cc(C(C)NCCC2CCCCC2)ccc1O
InChIInChI=1S/C17H27NO2/c1-13(15-8-9-16(19)17(12-15)20-2)18-11-10-14-6-4-3-5-7-14/h8-9,12-14,18-19H,3-7,10-11H2,1-2H3
InChIKeySGWWGUQFXYFAOV-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.02
Rot. Bonds6

About 4-[1-(2-cyclohexylethylamino)ethyl]-2-methoxyphenol

4-[1-(2-cyclohexylethylamino)ethyl]-2-methoxyphenol (PubChem CID 60919457) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-[1-(2-cyclohexylethylamino)ethyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[1-(2-cyclohexylethylamino)ethyl]-2-methoxyphenol
PubChem CID60919457
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name4-[1-(2-cyclohexylethylamino)ethyl]-2-methoxyphenol
SMILESCOc1cc(C(C)NCCC2CCCCC2)ccc1O
InChIInChI=1S/C17H27NO2/c1-13(15-8-9-16(19)17(12-15)20-2)18-11-10-14-6-4-3-5-7-14/h8-9,12-14,18-19H,3-7,10-11H2,1-2H3
InChIKeySGWWGUQFXYFAOV-UHFFFAOYSA-N
XLogP4.02
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-4-[1-(3-methylbutylamino)ethyl]phenol
CID 43193059
2-methoxy-4-[1-(2-methoxyethylamino)ethyl]phenol
CID 43190162
4-[1-(2-cyclopentylethylamino)ethyl]phenol
CID 54932146
N-(2-cyclohexylethyl)-1-(2-methoxyphenyl)ethanamine
CID 54931731
4-[1-(3-ethoxypropylamino)ethyl]-2-methoxyphenol
CID 43196184
1-(4-fluoro-3-methoxyphenyl)-N-[2-(4-methylcyclohexyl)ethyl]ethanamine
CID 83059488
4-[1-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]-2-methoxyphenol
CID 106359770
2-[5-[1-(2-cyclobutylethylamino)ethyl]-2-methoxyphenyl]acetonitrile
CID 166200213
4-[1-(2-ethoxyethylamino)ethyl]-2-methoxyphenol
CID 43590855
2-methoxy-4-[1-(5,5,5-trifluoropentylamino)ethyl]phenol
CID 115516886
4-[1-(1-cyclopropylpropan-2-ylamino)ethyl]-2-methoxyphenol
CID 63989091
2-methoxy-4-[1-(2-phenylethylamino)ethyl]phenol
CID 43194110

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-cyclohexylethylamino)ethyl]-2-methoxyphenol?
The IUPAC name of 4-[1-(2-cyclohexylethylamino)ethyl]-2-methoxyphenol (CID 60919457) is 4-[1-(2-cyclohexylethylamino)ethyl]-2-methoxyphenol.
What is the SMILES notation for 4-[1-(2-cyclohexylethylamino)ethyl]-2-methoxyphenol?
The canonical SMILES for 4-[1-(2-cyclohexylethylamino)ethyl]-2-methoxyphenol is COc1cc(C(C)NCCC2CCCCC2)ccc1O.
What is the InChIKey of 4-[1-(2-cyclohexylethylamino)ethyl]-2-methoxyphenol?
The InChIKey is SGWWGUQFXYFAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13(15-8-9-16(19)17(12-15)20-2)18-11-10-14-6-4-3-5-7-14/h8-9,12-14,18-19H,3-7,10-11H2,1-2H3.
What are the key properties of 4-[1-(2-cyclohexylethylamino)ethyl]-2-methoxyphenol?
4-[1-(2-cyclohexylethylamino)ethyl]-2-methoxyphenol has a molecular weight of 277.41 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-cyclohexylethylamino)ethyl]-2-methoxyphenol is sourced from PubChem (CID 60919457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).