3-[(1R,2R,5R)-2-[(dimethylamino)methyl]-1-hydroxy-5-methylcyclohexyl]phenol

C16H25NO2 — CID 150361080

IUPAC3-[(1R,2R,5R)-2-[(dimethylamino)methyl]-1-hydroxy-5-methylcyclohexyl]phenol
SMILESC[C@@H]1CC[C@H](CN(C)C)[C@@](O)(c2cccc(O)c2)C1
InChIInChI=1S/C16H25NO2/c1-12-7-8-14(11-17(2)3)16(19,10-12)13-5-4-6-15(18)9-13/h4-6,9,12,14,18-19H,7-8,10-11H2,1-3H3/t12-,14-,16+/m1/s1
InChIKeyGVSLZYPVERZJGU-XPKDYRNWSA-N
MW263.38 g/mol
LogP2.58
Rot. Bonds3

About 3-[(1R,2R,5R)-2-[(dimethylamino)methyl]-1-hydroxy-5-methylcyclohexyl]phenol

3-[(1R,2R,5R)-2-[(dimethylamino)methyl]-1-hydroxy-5-methylcyclohexyl]phenol (PubChem CID 150361080) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[(1R,2R,5R)-2-[(dimethylamino)methyl]-1-hydroxy-5-methylcyclohexyl]phenol.

Molecular Properties

Compound Name3-[(1R,2R,5R)-2-[(dimethylamino)methyl]-1-hydroxy-5-methylcyclohexyl]phenol
PubChem CID150361080
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-[(1R,2R,5R)-2-[(dimethylamino)methyl]-1-hydroxy-5-methylcyclohexyl]phenol
SMILESC[C@@H]1CC[C@H](CN(C)C)[C@@](O)(c2cccc(O)c2)C1
InChIInChI=1S/C16H25NO2/c1-12-7-8-14(11-17(2)3)16(19,10-12)13-5-4-6-15(18)9-13/h4-6,9,12,14,18-19H,7-8,10-11H2,1-3H3/t12-,14-,16+/m1/s1
InChIKeyGVSLZYPVERZJGU-XPKDYRNWSA-N
XLogP2.58
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(1R,2R,5R)-2-[(dimethylamino)methyl]-1-hydroxy-5-methylcyclohexyl]phenol with MolForge

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Related Compounds

(1S,2S,5S)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-5-methylcyclohexan-1-ol;hydrochloride
CID 70216938
(3R,4S)-3-[(dimethylamino)methyl]-4-(3-hydroxyphenyl)oxan-4-ol
CID 15050165
3-[(1R,2S,4S)-2-[(dimethylamino)methyl]-1-hydroxy-4-phenylmethoxycyclohexyl]phenol
CID 124603005
1-benzyl-3-[(dimethylamino)methyl]-4-(3-hydroxyphenyl)piperidin-4-ol
CID 141444113
cis-(1S,2S)-1-(3-deuteriooxyphenyl)-2-[[methyl(trideuteriomethyl)amino]methyl]cyclohexan-1-ol
CID 25182362
3-[(1R,2R,4S)-2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methoxy]-1-hydroxycyclohexyl]phenol
CID 66606904
3-[(dimethylamino)methyl]-4-(3-hydroxyphenyl)-1-(1-phenylbutyl)piperidin-4-ol
CID 141444117
2-[(dimethylamino)methyl]-1-(3-phenylmethoxyphenyl)-5-(trifluoromethyl)cyclohexan-1-ol
CID 18935039
1-(3-methoxyphenyl)-2,5-dimethylcyclohexan-1-ol
CID 64756237
cis-(1S,2S)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol;hydrochloride
CID 10017651
3-[(1S,2R)-1-hydroxy-2-(methylaminomethyl)cyclohexyl]phenol
CID 40616047
(1S,2R,3R,5R)-2-[(dimethylamino)methyl]-3-(3-methoxyphenyl)bicyclo[3.2.1]octan-3-ol
CID 149029383

Frequently Asked Questions

What is the IUPAC name of 3-[(1R,2R,5R)-2-[(dimethylamino)methyl]-1-hydroxy-5-methylcyclohexyl]phenol?
The IUPAC name of 3-[(1R,2R,5R)-2-[(dimethylamino)methyl]-1-hydroxy-5-methylcyclohexyl]phenol (CID 150361080) is 3-[(1R,2R,5R)-2-[(dimethylamino)methyl]-1-hydroxy-5-methylcyclohexyl]phenol.
What is the SMILES notation for 3-[(1R,2R,5R)-2-[(dimethylamino)methyl]-1-hydroxy-5-methylcyclohexyl]phenol?
The canonical SMILES for 3-[(1R,2R,5R)-2-[(dimethylamino)methyl]-1-hydroxy-5-methylcyclohexyl]phenol is C[C@@H]1CC[C@H](CN(C)C)[C@@](O)(c2cccc(O)c2)C1.
What is the InChIKey of 3-[(1R,2R,5R)-2-[(dimethylamino)methyl]-1-hydroxy-5-methylcyclohexyl]phenol?
The InChIKey is GVSLZYPVERZJGU-XPKDYRNWSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-7-8-14(11-17(2)3)16(19,10-12)13-5-4-6-15(18)9-13/h4-6,9,12,14,18-19H,7-8,10-11H2,1-3H3/t12-,14-,16+/m1/s1.
What are the key properties of 3-[(1R,2R,5R)-2-[(dimethylamino)methyl]-1-hydroxy-5-methylcyclohexyl]phenol?
3-[(1R,2R,5R)-2-[(dimethylamino)methyl]-1-hydroxy-5-methylcyclohexyl]phenol has a molecular weight of 263.38 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,2R,5R)-2-[(dimethylamino)methyl]-1-hydroxy-5-methylcyclohexyl]phenol is sourced from PubChem (CID 150361080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).