1-cyclohexyl-2-(2,6-dimethylphenoxy)-N-methylethanamine

C17H27NO — CID 104748343

IUPAC1-cyclohexyl-2-(2,6-dimethylphenoxy)-N-methylethanamine
SMILESCNC(COc1c(C)cccc1C)C1CCCCC1
InChIInChI=1S/C17H27NO/c1-13-8-7-9-14(2)17(13)19-12-16(18-3)15-10-5-4-6-11-15/h7-9,15-16,18H,4-6,10-12H2,1-3H3
InChIKeyGTAPXJMIHQOKRA-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.85
Rot. Bonds5

About 1-cyclohexyl-2-(2,6-dimethylphenoxy)-N-methylethanamine

1-cyclohexyl-2-(2,6-dimethylphenoxy)-N-methylethanamine (PubChem CID 104748343) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-cyclohexyl-2-(2,6-dimethylphenoxy)-N-methylethanamine.

Molecular Properties

Compound Name1-cyclohexyl-2-(2,6-dimethylphenoxy)-N-methylethanamine
PubChem CID104748343
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-cyclohexyl-2-(2,6-dimethylphenoxy)-N-methylethanamine
SMILESCNC(COc1c(C)cccc1C)C1CCCCC1
InChIInChI=1S/C17H27NO/c1-13-8-7-9-14(2)17(13)19-12-16(18-3)15-10-5-4-6-11-15/h7-9,15-16,18H,4-6,10-12H2,1-3H3
InChIKeyGTAPXJMIHQOKRA-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-N-methyl-2-(2,3,6-trimethylphenoxy)ethanamine
CID 104749034
1-cyclohexyl-2-(2,6-dimethylphenoxy)ethanamine;hydrochloride
CID 162334204
2-(5-chloro-2-methylphenoxy)-1-cyclohexyl-N-methylethanamine
CID 104749564
1-cyclopentyl-2-(3,5-dimethylphenoxy)-N-methylethanamine
CID 113448551
1-cyclohexyl-N-methyl-2-naphthalen-2-yloxyethanamine
CID 104748601
2-(4-tert-butylphenoxy)-1-cyclohexyl-N-methylethanamine
CID 104748472
1-cyclopropyl-N-methyl-2-naphthalen-1-yloxyethanamine
CID 63912716
2-(2-tert-butylphenoxy)-1-cyclohexyl-N-methylethanamine
CID 104748352
2-(2-chloro-4-methylphenoxy)-1-cyclohexyl-N-methylethanamine
CID 104749395
1-cyclohexyl-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)ethanamine
CID 104748451
1-cyclohexyl-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethanamine
CID 104749235
1-cyclopentyl-2-(2-methoxy-4-methylphenoxy)-N-methylethanamine
CID 104748636

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(2,6-dimethylphenoxy)-N-methylethanamine?
The IUPAC name of 1-cyclohexyl-2-(2,6-dimethylphenoxy)-N-methylethanamine (CID 104748343) is 1-cyclohexyl-2-(2,6-dimethylphenoxy)-N-methylethanamine.
What is the SMILES notation for 1-cyclohexyl-2-(2,6-dimethylphenoxy)-N-methylethanamine?
The canonical SMILES for 1-cyclohexyl-2-(2,6-dimethylphenoxy)-N-methylethanamine is CNC(COc1c(C)cccc1C)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(2,6-dimethylphenoxy)-N-methylethanamine?
The InChIKey is GTAPXJMIHQOKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13-8-7-9-14(2)17(13)19-12-16(18-3)15-10-5-4-6-11-15/h7-9,15-16,18H,4-6,10-12H2,1-3H3.
What are the key properties of 1-cyclohexyl-2-(2,6-dimethylphenoxy)-N-methylethanamine?
1-cyclohexyl-2-(2,6-dimethylphenoxy)-N-methylethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(2,6-dimethylphenoxy)-N-methylethanamine is sourced from PubChem (CID 104748343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).