[2-(3-hydroxyphenyl)cyclohexyl]methyl-dimethylazanium

C15H24NO+ — CID 58810692

IUPAC[2-(3-hydroxyphenyl)cyclohexyl]methyl-dimethylazanium
SMILESC[NH+](C)CC1CCCCC1c1cccc(O)c1
InChIInChI=1S/C15H23NO/c1-16(2)11-13-6-3-4-9-15(13)12-7-5-8-14(17)10-12/h5,7-8,10,13,15,17H,3-4,6,9,11H2,1-2H3/p+1
InChIKeyJIRYWFYYBBRJAN-UHFFFAOYSA-O
MW234.36 g/mol
LogP1.81
Rot. Bonds3

About [2-(3-hydroxyphenyl)cyclohexyl]methyl-dimethylazanium

[2-(3-hydroxyphenyl)cyclohexyl]methyl-dimethylazanium (PubChem CID 58810692) has the molecular formula C15H24NO+ and a molecular weight of 234.36 g/mol. Its IUPAC name is [2-(3-hydroxyphenyl)cyclohexyl]methyl-dimethylazanium.

Molecular Properties

Compound Name[2-(3-hydroxyphenyl)cyclohexyl]methyl-dimethylazanium
PubChem CID58810692
Molecular FormulaC15H24NO+
Molecular Weight234.36 g/mol
Exact Mass234.19
IUPAC Name[2-(3-hydroxyphenyl)cyclohexyl]methyl-dimethylazanium
SMILESC[NH+](C)CC1CCCCC1c1cccc(O)c1
InChIInChI=1S/C15H23NO/c1-16(2)11-13-6-3-4-9-15(13)12-7-5-8-14(17)10-12/h5,7-8,10,13,15,17H,3-4,6,9,11H2,1-2H3/p+1
InChIKeyJIRYWFYYBBRJAN-UHFFFAOYSA-O
XLogP1.81
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(3-hydroxyphenyl)cyclohexyl]methyl-dimethylazanium;methane;hydrochloride
CID 158588851
3-[(1S,2R)-2-[(dimethylamino)methyl]cyclohexyl]phenol;3-[(1R,2R)-2-[(dimethylamino)methyl]cyclohexyl]phenol;3-[(1S,2S)-2-[(dimethylamino)methyl]cyclohexyl]phenol;3-[(1R,2S)-2-[(dimethylamino)methyl]cyclohexyl]phenol
CID 161332431
3-[2-[(dimethylamino)methyl]cyclohexyl]phenol;methoxymethane;propane
CID 142251041
3-[(1S,2R)-2-hydroxycyclohexyl]phenol
CID 54021474
2-[2-(3-methylphenyl)cycloheptyl]acetonitrile
CID 82242576
3-cyclohexylphenol
CID 16036
[(1R,2R)-2-hydroxy-2-(3-hydroxyphenyl)cyclohexyl]methyl-dimethylazanium chloride
CID 122174016
3-[(2R)-2-(aminomethyl)cyclopropyl]phenol
CID 105432221
3-[4-(aminomethyl)piperidin-3-yl]phenol
CID 82610660
2-[2-(3-chlorophenyl)cycloheptyl]acetonitrile
CID 82244574
[2-(3-methoxyphenyl)cyclohexyl]methanamine
CID 10443420
[(1R,2R)-2-(chloromethyl)cyclohexyl]benzene
CID 130762341

Frequently Asked Questions

What is the IUPAC name of [2-(3-hydroxyphenyl)cyclohexyl]methyl-dimethylazanium?
The IUPAC name of [2-(3-hydroxyphenyl)cyclohexyl]methyl-dimethylazanium (CID 58810692) is [2-(3-hydroxyphenyl)cyclohexyl]methyl-dimethylazanium.
What is the SMILES notation for [2-(3-hydroxyphenyl)cyclohexyl]methyl-dimethylazanium?
The canonical SMILES for [2-(3-hydroxyphenyl)cyclohexyl]methyl-dimethylazanium is C[NH+](C)CC1CCCCC1c1cccc(O)c1.
What is the InChIKey of [2-(3-hydroxyphenyl)cyclohexyl]methyl-dimethylazanium?
The InChIKey is JIRYWFYYBBRJAN-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H23NO/c1-16(2)11-13-6-3-4-9-15(13)12-7-5-8-14(17)10-12/h5,7-8,10,13,15,17H,3-4,6,9,11H2,1-2H3/p+1.
What are the key properties of [2-(3-hydroxyphenyl)cyclohexyl]methyl-dimethylazanium?
[2-(3-hydroxyphenyl)cyclohexyl]methyl-dimethylazanium has a molecular weight of 234.36 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-hydroxyphenyl)cyclohexyl]methyl-dimethylazanium is sourced from PubChem (CID 58810692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).