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

C16H25NO2 — CID 70258580

IUPAC4-[(1R)-1-(dimethylamino)-2-(1-hydroxycyclohexyl)ethyl]phenol
SMILESCN(C)[C@H](CC1(O)CCCCC1)c1ccc(O)cc1
InChIInChI=1S/C16H25NO2/c1-17(2)15(13-6-8-14(18)9-7-13)12-16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3/t15-/m1/s1
InChIKeyXKLFJODRCJRBEW-OAHLLOKOSA-N
MW263.38 g/mol
LogP3.08
Rot. Bonds4

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

4-[(1R)-1-(dimethylamino)-2-(1-hydroxycyclohexyl)ethyl]phenol (PubChem CID 70258580) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-[(1R)-1-(dimethylamino)-2-(1-hydroxycyclohexyl)ethyl]phenol.

Molecular Properties

Compound Name4-[(1R)-1-(dimethylamino)-2-(1-hydroxycyclohexyl)ethyl]phenol
PubChem CID70258580
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-[(1R)-1-(dimethylamino)-2-(1-hydroxycyclohexyl)ethyl]phenol
SMILESCN(C)[C@H](CC1(O)CCCCC1)c1ccc(O)cc1
InChIInChI=1S/C16H25NO2/c1-17(2)15(13-6-8-14(18)9-7-13)12-16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3/t15-/m1/s1
InChIKeyXKLFJODRCJRBEW-OAHLLOKOSA-N
XLogP3.08
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrate
CID 68605984
4-[1-(dimethylamino)-2-(methylamino)ethyl]phenol
CID 105448262
4-[1-(1-hydroxycyclohexyl)ethyl]phenol;hydrochloride
CID 67641722
1-[[[2-amino-1-(4-methylphenyl)ethyl]-methylamino]methyl]cyclopentan-1-ol
CID 114948239
4-[1-[[1-(dimethylamino)cyclopentyl]methylamino]propyl]phenol
CID 83116508
4-[1-(1-hydroxycyclohexyl)-4-methylpentyl]phenol
CID 143726784
4-[1-[methyl(pentan-3-yl)amino]propyl]phenol
CID 82977173
4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;ethanesulfonic acid
CID 44517185
4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;2-hydroxypropanoic acid
CID 25268064
1-amino-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 119850679
[(2R)-2-(1-hydroxycyclohexyl)-2-(4-hydroxyphenyl)ethyl]-dimethylazanium chloride
CID 159281287
1-[2-amino-2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 57165649

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-(dimethylamino)-2-(1-hydroxycyclohexyl)ethyl]phenol?
The IUPAC name of 4-[(1R)-1-(dimethylamino)-2-(1-hydroxycyclohexyl)ethyl]phenol (CID 70258580) is 4-[(1R)-1-(dimethylamino)-2-(1-hydroxycyclohexyl)ethyl]phenol.
What is the SMILES notation for 4-[(1R)-1-(dimethylamino)-2-(1-hydroxycyclohexyl)ethyl]phenol?
The canonical SMILES for 4-[(1R)-1-(dimethylamino)-2-(1-hydroxycyclohexyl)ethyl]phenol is CN(C)[C@H](CC1(O)CCCCC1)c1ccc(O)cc1.
What is the InChIKey of 4-[(1R)-1-(dimethylamino)-2-(1-hydroxycyclohexyl)ethyl]phenol?
The InChIKey is XKLFJODRCJRBEW-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H25NO2/c1-17(2)15(13-6-8-14(18)9-7-13)12-16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3/t15-/m1/s1.
What are the key properties of 4-[(1R)-1-(dimethylamino)-2-(1-hydroxycyclohexyl)ethyl]phenol?
4-[(1R)-1-(dimethylamino)-2-(1-hydroxycyclohexyl)ethyl]phenol has a molecular weight of 263.38 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-(dimethylamino)-2-(1-hydroxycyclohexyl)ethyl]phenol is sourced from PubChem (CID 70258580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).