3-[dimethylamino-[(1R,2R)-2-hydroxycyclohexyl]methyl]phenol

C15H23NO2 — CID 54374840

IUPAC3-[dimethylamino-[(1R,2R)-2-hydroxycyclohexyl]methyl]phenol
SMILESCN(C)C(c1cccc(O)c1)[C@H]1CCCC[C@H]1O
InChIInChI=1S/C15H23NO2/c1-16(2)15(11-6-5-7-12(17)10-11)13-8-3-4-9-14(13)18/h5-7,10,13-15,17-18H,3-4,8-9H2,1-2H3/t13-,14+,15?/m0/s1
InChIKeyUVTLONZTPXCUPU-SNTRVMSOSA-N
MW249.35 g/mol
LogP2.55
Rot. Bonds3

About 3-[dimethylamino-[(1R,2R)-2-hydroxycyclohexyl]methyl]phenol

3-[dimethylamino-[(1R,2R)-2-hydroxycyclohexyl]methyl]phenol (PubChem CID 54374840) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-[dimethylamino-[(1R,2R)-2-hydroxycyclohexyl]methyl]phenol.

Molecular Properties

Compound Name3-[dimethylamino-[(1R,2R)-2-hydroxycyclohexyl]methyl]phenol
PubChem CID54374840
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-[dimethylamino-[(1R,2R)-2-hydroxycyclohexyl]methyl]phenol
SMILESCN(C)C(c1cccc(O)c1)[C@H]1CCCC[C@H]1O
InChIInChI=1S/C15H23NO2/c1-16(2)15(11-6-5-7-12(17)10-11)13-8-3-4-9-14(13)18/h5-7,10,13-15,17-18H,3-4,8-9H2,1-2H3/t13-,14+,15?/m0/s1
InChIKeyUVTLONZTPXCUPU-SNTRVMSOSA-N
XLogP2.55
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[dimethylamino-(2-hydroxycyclopentyl)methyl]phenol
CID 171097757
cis-(1R,2R)-2-[dimethylamino-(3-methoxyphenyl)methyl]cyclohexan-1-ol;hydrochloride
CID 70600998
cis-(1S,2S)-2-[dimethylamino(phenyl)methyl]cycloheptan-1-ol;hydrochloride
CID 70600717
cis-(1R,2R)-2-[dimethylamino-(3-ethoxyphenyl)methyl]cyclohexan-1-ol
CID 54144230
(E)-but-2-enedioic acid;3-[dimethylamino-[(1R,2R)-2-hydroxy-2-methylcyclohexyl]methyl]phenol
CID 70600783
3-[(1R)-1-(dimethylamino)ethyl]phenol
CID 10313270
3-[amino(cyclohexyl)methyl]phenol
CID 105457850
3-[hydroxy(pyrrolidin-2-yl)methyl]phenol
CID 83484257
3-[1-cyclohexyl-2-(methylamino)ethyl]phenol
CID 105493594
3-[(1S,2R)-2-hydroxycyclohexyl]phenol
CID 54021474
3-[(2R)-4-(dimethylamino)-3-methylbutan-2-yl]phenol
CID 70853706
3-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]phenol;hydrochloride
CID 171160686

Frequently Asked Questions

What is the IUPAC name of 3-[dimethylamino-[(1R,2R)-2-hydroxycyclohexyl]methyl]phenol?
The IUPAC name of 3-[dimethylamino-[(1R,2R)-2-hydroxycyclohexyl]methyl]phenol (CID 54374840) is 3-[dimethylamino-[(1R,2R)-2-hydroxycyclohexyl]methyl]phenol.
What is the SMILES notation for 3-[dimethylamino-[(1R,2R)-2-hydroxycyclohexyl]methyl]phenol?
The canonical SMILES for 3-[dimethylamino-[(1R,2R)-2-hydroxycyclohexyl]methyl]phenol is CN(C)C(c1cccc(O)c1)[C@H]1CCCC[C@H]1O.
What is the InChIKey of 3-[dimethylamino-[(1R,2R)-2-hydroxycyclohexyl]methyl]phenol?
The InChIKey is UVTLONZTPXCUPU-SNTRVMSOSA-N. The full InChI is InChI=1S/C15H23NO2/c1-16(2)15(11-6-5-7-12(17)10-11)13-8-3-4-9-14(13)18/h5-7,10,13-15,17-18H,3-4,8-9H2,1-2H3/t13-,14+,15?/m0/s1.
What are the key properties of 3-[dimethylamino-[(1R,2R)-2-hydroxycyclohexyl]methyl]phenol?
3-[dimethylamino-[(1R,2R)-2-hydroxycyclohexyl]methyl]phenol has a molecular weight of 249.35 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethylamino-[(1R,2R)-2-hydroxycyclohexyl]methyl]phenol is sourced from PubChem (CID 54374840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).