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

C60H92N4O4 — CID 161332431

IUPAC3-[(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
SMILESCN(C)C[C@@H]1CCCC[C@@H]1c1cccc(O)c1.CN(C)C[C@@H]1CCCC[C@H]1c1cccc(O)c1.CN(C)C[C@H]1CCCC[C@@H]1c1cccc(O)c1.CN(C)C[C@H]1CCCC[C@H]1c1cccc(O)c1
InChIInChI=1S/4C15H23NO/c4*1-16(2)11-13-6-3-4-9-15(13)12-7-5-8-14(17)10-12/h4*5,7-8,10,13,15,17H,3-4,6,9,11H2,1-2H3/t2*13-,15+;2*13-,15-/m1010/s1
InChIKeyVLPGJRUBHBTKND-ZYQADDOKSA-N
MW933.42 g/mol
LogP12.91
Rot. Bonds12

About 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

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 (PubChem CID 161332431) has the molecular formula C60H92N4O4 and a molecular weight of 933.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[(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
PubChem CID161332431
Molecular FormulaC60H92N4O4
Molecular Weight933.42 g/mol
Exact Mass932.71
IUPAC Name3-[(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
SMILESCN(C)C[C@@H]1CCCC[C@@H]1c1cccc(O)c1.CN(C)C[C@@H]1CCCC[C@H]1c1cccc(O)c1.CN(C)C[C@H]1CCCC[C@@H]1c1cccc(O)c1.CN(C)C[C@H]1CCCC[C@H]1c1cccc(O)c1
InChIInChI=1S/4C15H23NO/c4*1-16(2)11-13-6-3-4-9-15(13)12-7-5-8-14(17)10-12/h4*5,7-8,10,13,15,17H,3-4,6,9,11H2,1-2H3/t2*13-,15+;2*13-,15-/m1010/s1
InChIKeyVLPGJRUBHBTKND-ZYQADDOKSA-N
XLogP12.91
TPSA93.88 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500933.42
LogP ≤ 512.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

3-[2-[(dimethylamino)methyl]cyclohexyl]phenol;methoxymethane;propane
CID 142251041
[2-(3-hydroxyphenyl)cyclohexyl]methyl-dimethylazanium
CID 58810692
1-[(1S,2R)-2-(3-methoxyphenyl)cyclohexyl]-N,N-dimethylmethanamine;hydrochloride
CID 22883942
[2-(3-hydroxyphenyl)cyclohexyl]methyl-dimethylazanium;methane;hydrochloride
CID 158588851
3-[(1S,2R)-2-hydroxycyclohexyl]phenol
CID 54021474
(E)-4-[3-[2-[(dimethylamino)methyl]cyclohexyl]phenoxy]-4-oxobut-2-enoic acid
CID 67132875
[3-[(1R,2S)-2-[(dimethylamino)methyl]cyclohexyl]phenyl] 2-methylpropyl carbonate
CID 22883940
benzene;3-[3-[(dimethylamino)methyl]-1-hexylpiperidin-4-yl]phenol
CID 174897850
methyl 3-[(E)-[(3R,4S)-4-[(dimethylamino)methyl]-3-(3-hydroxyphenyl)cyclohexylidene]methyl]benzoate
CID 131724278
3-cyclohexylphenol
CID 16036
1-[(1R,2R)-2-[(dimethylamino)methyl]cyclohexyl]-N,N-dimethylmethanamine
CID 22812116
3-[(2R)-2-(aminomethyl)cyclopropyl]phenol
CID 105432221

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C)C[C@@H]1CCCC[C@@H]1c1cccc(O)c1.CN(C)C[C@@H]1CCCC[C@H]1c1cccc(O)c1.CN(C)C[C@H]1CCCC[C@@H]1c1cccc(O)c1.CN(C)C[C@H]1CCCC[C@H]1c1cccc(O)c1.
What is the InChIKey of 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?
The InChIKey is VLPGJRUBHBTKND-ZYQADDOKSA-N. The full InChI is InChI=1S/4C15H23NO/c4*1-16(2)11-13-6-3-4-9-15(13)12-7-5-8-14(17)10-12/h4*5,7-8,10,13,15,17H,3-4,6,9,11H2,1-2H3/t2*13-,15+;2*13-,15-/m1010/s1.
What are the key properties of 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?
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 has a molecular weight of 933.42 g/mol, XLogP of 12.91, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161332431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).