1-[2-[(dimethylamino)methyl]-5-methoxyphenyl]cyclohexane-1,3-diol

C16H25NO3 — CID 67061129

IUPAC1-[2-[(dimethylamino)methyl]-5-methoxyphenyl]cyclohexane-1,3-diol
SMILESCOc1ccc(CN(C)C)c(C2(O)CCCC(O)C2)c1
InChIInChI=1S/C16H25NO3/c1-17(2)11-12-6-7-14(20-3)9-15(12)16(19)8-4-5-13(18)10-16/h6-7,9,13,18-19H,4-5,8,10-11H2,1-3H3
InChIKeyDVDXEBUAJPKZJJ-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.88
Rot. Bonds4

About 1-[2-[(dimethylamino)methyl]-5-methoxyphenyl]cyclohexane-1,3-diol

1-[2-[(dimethylamino)methyl]-5-methoxyphenyl]cyclohexane-1,3-diol (PubChem CID 67061129) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[2-[(dimethylamino)methyl]-5-methoxyphenyl]cyclohexane-1,3-diol.

Molecular Properties

Compound Name1-[2-[(dimethylamino)methyl]-5-methoxyphenyl]cyclohexane-1,3-diol
PubChem CID67061129
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name1-[2-[(dimethylamino)methyl]-5-methoxyphenyl]cyclohexane-1,3-diol
SMILESCOc1ccc(CN(C)C)c(C2(O)CCCC(O)C2)c1
InChIInChI=1S/C16H25NO3/c1-17(2)11-12-6-7-14(20-3)9-15(12)16(19)8-4-5-13(18)10-16/h6-7,9,13,18-19H,4-5,8,10-11H2,1-3H3
InChIKeyDVDXEBUAJPKZJJ-UHFFFAOYSA-N
XLogP1.88
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-[(dimethylamino)methyl]-5-methoxyphenyl]cyclohexane-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Axomadol
CID 11300448
1-(2-(Dimethylamino)-1-(3-methoxyphenyl)ethyl)cyclohexanol
CID 13520317
7-methoxy-3-(4-phenylbutyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepin-1-ol
CID 46845430
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 141531416
5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-methoxy-2-methylphenyl)pentan-1-ol
CID 141531424
UK5SE4YR5N
CID 9925999
2-(1-Benzylpiperidin-4-yl)-1-(4-methoxyphenyl)ethanol;hydrochloride
CID 10090007
[7-Methoxy-3-(4-phenylbutyl)-1,2,4,5-tetrahydro-3-benzazepin-5-yl]methanol
CID 137644402
8-Methoxy-3-(4-phenylbut-3-ynyl)-1,2,4,5-tetrahydro-3-benzazepin-5-ol
CID 155529913
8-Methoxy-3-(5-phenylpent-4-ynyl)-1,2,4,5-tetrahydro-3-benzazepin-5-ol
CID 155535499
3-(3-Fluoro-4-phenylbutyl)-8-methoxy-1,2,4,5-tetrahydro-3-benzazepin-5-ol
CID 155536519
3-(2-Fluoro-4-phenylbutyl)-8-methoxy-1,2,4,5-tetrahydro-3-benzazepin-5-ol
CID 155563878

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(dimethylamino)methyl]-5-methoxyphenyl]cyclohexane-1,3-diol?
The IUPAC name of 1-[2-[(dimethylamino)methyl]-5-methoxyphenyl]cyclohexane-1,3-diol (CID 67061129) is 1-[2-[(dimethylamino)methyl]-5-methoxyphenyl]cyclohexane-1,3-diol.
What is the SMILES notation for 1-[2-[(dimethylamino)methyl]-5-methoxyphenyl]cyclohexane-1,3-diol?
The canonical SMILES for 1-[2-[(dimethylamino)methyl]-5-methoxyphenyl]cyclohexane-1,3-diol is COc1ccc(CN(C)C)c(C2(O)CCCC(O)C2)c1.
What is the InChIKey of 1-[2-[(dimethylamino)methyl]-5-methoxyphenyl]cyclohexane-1,3-diol?
The InChIKey is DVDXEBUAJPKZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-17(2)11-12-6-7-14(20-3)9-15(12)16(19)8-4-5-13(18)10-16/h6-7,9,13,18-19H,4-5,8,10-11H2,1-3H3.
What are the key properties of 1-[2-[(dimethylamino)methyl]-5-methoxyphenyl]cyclohexane-1,3-diol?
1-[2-[(dimethylamino)methyl]-5-methoxyphenyl]cyclohexane-1,3-diol has a molecular weight of 279.38 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(dimethylamino)methyl]-5-methoxyphenyl]cyclohexane-1,3-diol is sourced from PubChem (CID 67061129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).