cyclohexanol;ethane;2-(4-methoxyphenyl)-N,N-dimethylethanamine

C19H35NO2 — CID 143482708

IUPACcyclohexanol;ethane;2-(4-methoxyphenyl)-N,N-dimethylethanamine
SMILESCC.COc1ccc(CCN(C)C)cc1.OC1CCCCC1
InChIInChI=1S/C11H17NO.C6H12O.C2H6/c1-12(2)9-8-10-4-6-11(13-3)7-5-10;7-6-4-2-1-3-5-6;1-2/h4-7H,8-9H2,1-3H3;6-7H,1-5H2;1-2H3
InChIKeyXDKREZVCOWIECI-UHFFFAOYSA-N
MW309.49 g/mol
LogP4.14
Rot. Bonds4

About cyclohexanol;ethane;2-(4-methoxyphenyl)-N,N-dimethylethanamine

cyclohexanol;ethane;2-(4-methoxyphenyl)-N,N-dimethylethanamine (PubChem CID 143482708) has the molecular formula C19H35NO2 and a molecular weight of 309.49 g/mol. Its IUPAC name is cyclohexanol;ethane;2-(4-methoxyphenyl)-N,N-dimethylethanamine.

Molecular Properties

Compound Namecyclohexanol;ethane;2-(4-methoxyphenyl)-N,N-dimethylethanamine
PubChem CID143482708
Molecular FormulaC19H35NO2
Molecular Weight309.49 g/mol
Exact Mass309.27
IUPAC Namecyclohexanol;ethane;2-(4-methoxyphenyl)-N,N-dimethylethanamine
SMILESCC.COc1ccc(CCN(C)C)cc1.OC1CCCCC1
InChIInChI=1S/C11H17NO.C6H12O.C2H6/c1-12(2)9-8-10-4-6-11(13-3)7-5-10;7-6-4-2-1-3-5-6;1-2/h4-7H,8-9H2,1-3H3;6-7H,1-5H2;1-2H3
InChIKeyXDKREZVCOWIECI-UHFFFAOYSA-N
XLogP4.14
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.49
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-N-methylcyclohexanecarboxamide
CID 110287930
cis-(1R,3R)-3-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 11506917
3-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 65444252
3-cyclohexyl-1-[2-(4-methoxyphenyl)ethyl]-1-methylurea
CID 110287969
2-N-[2-(4-methoxyphenyl)ethyl]-2-N-methylcyclohexane-1,2-diamine
CID 102639912
[2-[2-(4-methoxyphenyl)ethyl]cycloheptyl]methanamine
CID 81010620
1-cyclooctyl-3-(4-methoxyphenyl)propan-1-ol
CID 80603730
N-(2-bromoethyl)-N-[2-(4-methoxyphenyl)ethyl]cyclopropanamine
CID 80668431
4-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 106133202
2-[cyclopentyl-[2-(4-methoxyphenyl)ethyl]amino]ethanethioamide
CID 65446178
3-[cyclobutyl-[2-(4-methoxyphenyl)ethyl]amino]propan-1-ol
CID 102848724
2-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]-N,N-dimethylethanamine
CID 171715461

Frequently Asked Questions

What is the IUPAC name of cyclohexanol;ethane;2-(4-methoxyphenyl)-N,N-dimethylethanamine?
The IUPAC name of cyclohexanol;ethane;2-(4-methoxyphenyl)-N,N-dimethylethanamine (CID 143482708) is cyclohexanol;ethane;2-(4-methoxyphenyl)-N,N-dimethylethanamine.
What is the SMILES notation for cyclohexanol;ethane;2-(4-methoxyphenyl)-N,N-dimethylethanamine?
The canonical SMILES for cyclohexanol;ethane;2-(4-methoxyphenyl)-N,N-dimethylethanamine is CC.COc1ccc(CCN(C)C)cc1.OC1CCCCC1.
What is the InChIKey of cyclohexanol;ethane;2-(4-methoxyphenyl)-N,N-dimethylethanamine?
The InChIKey is XDKREZVCOWIECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO.C6H12O.C2H6/c1-12(2)9-8-10-4-6-11(13-3)7-5-10;7-6-4-2-1-3-5-6;1-2/h4-7H,8-9H2,1-3H3;6-7H,1-5H2;1-2H3.
What are the key properties of cyclohexanol;ethane;2-(4-methoxyphenyl)-N,N-dimethylethanamine?
cyclohexanol;ethane;2-(4-methoxyphenyl)-N,N-dimethylethanamine has a molecular weight of 309.49 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanol;ethane;2-(4-methoxyphenyl)-N,N-dimethylethanamine is sourced from PubChem (CID 143482708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).