4-[1-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]-2-methoxyphenol

C16H25NO3 — CID 106359770

IUPAC4-[1-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]-2-methoxyphenol
SMILESCOc1cc(C(C)NC2CCCCC2CO)ccc1O
InChIInChI=1S/C16H25NO3/c1-11(12-7-8-15(19)16(9-12)20-2)17-14-6-4-3-5-13(14)10-18/h7-9,11,13-14,17-19H,3-6,10H2,1-2H3
InChIKeyVAHXLTROJSKSAS-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.60
Rot. Bonds5

About 4-[1-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]-2-methoxyphenol

4-[1-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]-2-methoxyphenol (PubChem CID 106359770) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-[1-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[1-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]-2-methoxyphenol
PubChem CID106359770
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name4-[1-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]-2-methoxyphenol
SMILESCOc1cc(C(C)NC2CCCCC2CO)ccc1O
InChIInChI=1S/C16H25NO3/c1-11(12-7-8-15(19)16(9-12)20-2)17-14-6-4-3-5-13(14)10-18/h7-9,11,13-14,17-19H,3-6,10H2,1-2H3
InChIKeyVAHXLTROJSKSAS-UHFFFAOYSA-N
XLogP2.60
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[1-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]-2-methoxyphenol with MolForge

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Related Compounds

[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]cyclopentyl]methanol
CID 103786056
[2-[1-(3-methoxyphenyl)ethylamino]cyclohexyl]methanol
CID 103729783
4-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]-2-methoxyphenol
CID 43752358
4-[1-(2-cyclohexylethylamino)ethyl]-2-methoxyphenol
CID 60919457
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylcyclohexan-1-amine
CID 43194983
2-[1-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]phenol
CID 113383805
[2-[1-(4-methylsulfanylphenyl)ethylamino]cyclohexyl]methanol
CID 103717066
2-methoxy-4-[1-[(1-methylpiperidin-4-yl)amino]ethyl]phenol
CID 43373375
4-[1-(1-cyclopropylpropan-2-ylamino)ethyl]-2-methoxyphenol
CID 63989091
[2-[1-(4-ethylphenyl)ethylamino]cyclopentyl]methanol
CID 103786035
[2-[[2-amino-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]cyclohexyl]methanol
CID 106360364
[2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]cyclopentyl]methanol
CID 103786094

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]-2-methoxyphenol?
The IUPAC name of 4-[1-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]-2-methoxyphenol (CID 106359770) is 4-[1-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]-2-methoxyphenol.
What is the SMILES notation for 4-[1-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]-2-methoxyphenol?
The canonical SMILES for 4-[1-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]-2-methoxyphenol is COc1cc(C(C)NC2CCCCC2CO)ccc1O.
What is the InChIKey of 4-[1-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]-2-methoxyphenol?
The InChIKey is VAHXLTROJSKSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-11(12-7-8-15(19)16(9-12)20-2)17-14-6-4-3-5-13(14)10-18/h7-9,11,13-14,17-19H,3-6,10H2,1-2H3.
What are the key properties of 4-[1-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]-2-methoxyphenol?
4-[1-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]-2-methoxyphenol has a molecular weight of 279.38 g/mol, XLogP of 2.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]-2-methoxyphenol is sourced from PubChem (CID 106359770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).