1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol

C17H27NO2 — CID 5656

💊View drug profile → venlafaxine
IUPAC1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
SMILESCOc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1
InChIInChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3
InChIKeyPNVNVHUZROJLTJ-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.04
Rot. Bonds5

About 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol

1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol (PubChem CID 5656) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
PubChem CID5656
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
SMILESCOc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1
InChIInChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3
InChIKeyPNVNVHUZROJLTJ-UHFFFAOYSA-N
XLogP3.04
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tramadol
CID 33741
Desvenlafaxine
CID 125017
Venlafaxine Hydrochloride
CID 62923
Tramadol Hydrochloride
CID 63013
2-((Dimethylamino)methyl)-1-(3-methoxyphenyl)cyclohexanol
CID 5523
N,N-Didesmethylvenlafaxine
CID 9795857
N-Desmethylvenlafaxine
CID 3501942
N-Demethyltramadol
CID 198555
Cyclohexanol, 2-aminomethyl-1-(m-methoxyphenyl)-
CID 3056578
Tramadol N-Oxide
CID 9861699
Venlafaxine N-Oxide
CID 76559643
(S)-Venlafaxine
CID 11846746

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol?
The IUPAC name of 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol (CID 5656) is 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol?
The canonical SMILES for 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol is COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1.
What is the InChIKey of 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol?
The InChIKey is PNVNVHUZROJLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3.
What are the key properties of 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol?
1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol is sourced from PubChem (CID 5656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).