(2,4-dimethoxyphenyl)-[1-(dimethylamino)cyclohexyl]methanol

C17H27NO3 — CID 79061364

IUPAC(2,4-dimethoxyphenyl)-[1-(dimethylamino)cyclohexyl]methanol
SMILESCOc1ccc(C(O)C2(N(C)C)CCCCC2)c(OC)c1
InChIInChI=1S/C17H27NO3/c1-18(2)17(10-6-5-7-11-17)16(19)14-9-8-13(20-3)12-15(14)21-4/h8-9,12,16,19H,5-7,10-11H2,1-4H3
InChIKeyQGNVZXYCVVXMDP-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.00
Rot. Bonds5

About (2,4-dimethoxyphenyl)-[1-(dimethylamino)cyclohexyl]methanol

(2,4-dimethoxyphenyl)-[1-(dimethylamino)cyclohexyl]methanol (PubChem CID 79061364) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-[1-(dimethylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-[1-(dimethylamino)cyclohexyl]methanol
PubChem CID79061364
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name(2,4-dimethoxyphenyl)-[1-(dimethylamino)cyclohexyl]methanol
SMILESCOc1ccc(C(O)C2(N(C)C)CCCCC2)c(OC)c1
InChIInChI=1S/C17H27NO3/c1-18(2)17(10-6-5-7-11-17)16(19)14-9-8-13(20-3)12-15(14)21-4/h8-9,12,16,19H,5-7,10-11H2,1-4H3
InChIKeyQGNVZXYCVVXMDP-UHFFFAOYSA-N
XLogP3.00
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-dimethoxyphenyl)-[1-(dimethylamino)cyclopentyl]methanol
CID 79067398
1-[(2,4-dimethoxyphenyl)-hydroxymethyl]cyclohexane-1-carbonitrile
CID 79136305
[1-(dimethylamino)cyclohexyl]-(4-methoxyphenyl)methanol
CID 79067098
[1-(aminomethyl)cyclopentyl]-(2,4-dimethoxyphenyl)methanol
CID 79135621
[1-(dimethylamino)cycloheptyl]-(2-methoxy-5-methylphenyl)methanol
CID 79063099
[1-(dimethylamino)cyclohexyl]-(5-fluoro-2-methoxyphenyl)methanol
CID 82769611
1-[amino-(4-methoxy-2-methylphenyl)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79070446
(2,5-dimethoxyphenyl)-(1-methylcyclohexyl)methanol
CID 106828269
1-[hydroxy-(4-methoxy-2-methylphenyl)methyl]cycloheptan-1-ol
CID 103452088
[1-(dimethylamino)cyclohexyl]-(3-fluoro-4-methoxyphenyl)methanol
CID 79066938
(2,4-dimethoxyphenyl)-(1-methoxycyclohexyl)methanamine
CID 116762780
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-[1-(dimethylamino)cyclohexyl]methanol?
The IUPAC name of (2,4-dimethoxyphenyl)-[1-(dimethylamino)cyclohexyl]methanol (CID 79061364) is (2,4-dimethoxyphenyl)-[1-(dimethylamino)cyclohexyl]methanol.
What is the SMILES notation for (2,4-dimethoxyphenyl)-[1-(dimethylamino)cyclohexyl]methanol?
The canonical SMILES for (2,4-dimethoxyphenyl)-[1-(dimethylamino)cyclohexyl]methanol is COc1ccc(C(O)C2(N(C)C)CCCCC2)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)-[1-(dimethylamino)cyclohexyl]methanol?
The InChIKey is QGNVZXYCVVXMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-18(2)17(10-6-5-7-11-17)16(19)14-9-8-13(20-3)12-15(14)21-4/h8-9,12,16,19H,5-7,10-11H2,1-4H3.
What are the key properties of (2,4-dimethoxyphenyl)-[1-(dimethylamino)cyclohexyl]methanol?
(2,4-dimethoxyphenyl)-[1-(dimethylamino)cyclohexyl]methanol has a molecular weight of 293.41 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-[1-(dimethylamino)cyclohexyl]methanol is sourced from PubChem (CID 79061364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).