[2-(3-hydroxyphenyl)cyclohexyl]methyl-dimethylazanium;methane;hydrochloride

C16H29ClNO+ — CID 158588851

IUPAC[2-(3-hydroxyphenyl)cyclohexyl]methyl-dimethylazanium;methane;hydrochloride
SMILESC.C[NH+](C)CC1CCCCC1c1cccc(O)c1.Cl
InChIInChI=1S/C15H23NO.CH4.ClH/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;1H4;1H/p+1
InChIKeyJXZWXRCAWDALHV-UHFFFAOYSA-O
MW286.87 g/mol
LogP2.87
Rot. Bonds3

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

[2-(3-hydroxyphenyl)cyclohexyl]methyl-dimethylazanium;methane;hydrochloride (PubChem CID 158588851) has the molecular formula C16H29ClNO+ and a molecular weight of 286.87 g/mol. Its IUPAC name is [2-(3-hydroxyphenyl)cyclohexyl]methyl-dimethylazanium;methane;hydrochloride.

Molecular Properties

Compound Name[2-(3-hydroxyphenyl)cyclohexyl]methyl-dimethylazanium;methane;hydrochloride
PubChem CID158588851
Molecular FormulaC16H29ClNO+
Molecular Weight286.87 g/mol
Exact Mass286.19
IUPAC Name[2-(3-hydroxyphenyl)cyclohexyl]methyl-dimethylazanium;methane;hydrochloride
SMILESC.C[NH+](C)CC1CCCCC1c1cccc(O)c1.Cl
InChIInChI=1S/C15H23NO.CH4.ClH/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;1H4;1H/p+1
InChIKeyJXZWXRCAWDALHV-UHFFFAOYSA-O
XLogP2.87
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.87
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(3-hydroxyphenyl)cyclohexyl]methyl-dimethylazanium
CID 58810692
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
1-[(1S,2R)-2-(3-methoxyphenyl)cyclohexyl]-N,N-dimethylmethanamine;hydrochloride
CID 22883942
3-[5-(aminomethyl)-2-methylpiperidin-4-yl]phenol
CID 82616502

Frequently Asked Questions

What is the IUPAC name of [2-(3-hydroxyphenyl)cyclohexyl]methyl-dimethylazanium;methane;hydrochloride?
The IUPAC name of [2-(3-hydroxyphenyl)cyclohexyl]methyl-dimethylazanium;methane;hydrochloride (CID 158588851) is [2-(3-hydroxyphenyl)cyclohexyl]methyl-dimethylazanium;methane;hydrochloride.
What is the SMILES notation for [2-(3-hydroxyphenyl)cyclohexyl]methyl-dimethylazanium;methane;hydrochloride?
The canonical SMILES for [2-(3-hydroxyphenyl)cyclohexyl]methyl-dimethylazanium;methane;hydrochloride is C.C[NH+](C)CC1CCCCC1c1cccc(O)c1.Cl.
What is the InChIKey of [2-(3-hydroxyphenyl)cyclohexyl]methyl-dimethylazanium;methane;hydrochloride?
The InChIKey is JXZWXRCAWDALHV-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H23NO.CH4.ClH/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;1H4;1H/p+1.
What are the key properties of [2-(3-hydroxyphenyl)cyclohexyl]methyl-dimethylazanium;methane;hydrochloride?
[2-(3-hydroxyphenyl)cyclohexyl]methyl-dimethylazanium;methane;hydrochloride has a molecular weight of 286.87 g/mol, XLogP of 2.87, 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;methane;hydrochloride is sourced from PubChem (CID 158588851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).