4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrate

C16H27NO3 — CID 68605984

IUPAC4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrate
SMILESCN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1.O
InChIInChI=1S/C16H25NO2.H2O/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16;/h6-9,15,18-19H,3-5,10-12H2,1-2H3;1H2
InChIKeyRWVCTABRUPPSQH-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.91
Rot. Bonds4

About 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrate

4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrate (PubChem CID 68605984) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrate.

Molecular Properties

Compound Name4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrate
PubChem CID68605984
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrate
SMILESCN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1.O
InChIInChI=1S/C16H25NO2.H2O/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16;/h6-9,15,18-19H,3-5,10-12H2,1-2H3;1H2
InChIKeyRWVCTABRUPPSQH-UHFFFAOYSA-N
XLogP1.91
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

but-2-enedioic acid;4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrate
CID 68608550
4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;2-hydroxypropanoic acid
CID 25268064
4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;ethanesulfonic acid
CID 44517185
4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;methane
CID 158593799
2,6-dideuterio-4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol
CID 25226830
4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;4-[1-(1-hydroxycyclohexyl)butyl]phenol;1-[1-(4-methoxyphenyl)butyl]cyclohexan-1-ol
CID 159437674
bis(1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol);hydrochloride
CID 68818348
4-[1-(1-hydroxycyclohexyl)-4-methylpentyl]phenol
CID 143726784
1-[(1R)-2-(dimethylamino)-1-[4-(trideuteriomethoxy)phenyl]ethyl]cyclohexan-1-ol
CID 25225533
1-[(1S)-1-(4-methylphenyl)-2-[methyl(trideuteriomethyl)amino]ethyl]cyclohexan-1-ol
CID 118118928
[4-[(1S)-2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenyl] 2,2-dimethylpropanoate
CID 69422151
1-[2-amino-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;1-[1-(4-methoxyphenyl)-2-(methylamino)ethyl]cyclohexan-1-ol;hydrochloride
CID 159239397

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrate?
The IUPAC name of 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrate (CID 68605984) is 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrate.
What is the SMILES notation for 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrate?
The canonical SMILES for 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrate is CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1.O.
What is the InChIKey of 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrate?
The InChIKey is RWVCTABRUPPSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2.H2O/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16;/h6-9,15,18-19H,3-5,10-12H2,1-2H3;1H2.
What are the key properties of 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrate?
4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrate has a molecular weight of 281.40 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrate is sourced from PubChem (CID 68605984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).