1-cyclohexyl-N-methyl-2-(2,3,6-trimethylphenoxy)ethanamine

C18H29NO — CID 104749034

IUPAC1-cyclohexyl-N-methyl-2-(2,3,6-trimethylphenoxy)ethanamine
SMILESCNC(COc1c(C)ccc(C)c1C)C1CCCCC1
InChIInChI=1S/C18H29NO/c1-13-10-11-14(2)18(15(13)3)20-12-17(19-4)16-8-6-5-7-9-16/h10-11,16-17,19H,5-9,12H2,1-4H3
InChIKeyONPLAKSQHZLXBB-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.16
Rot. Bonds5

About 1-cyclohexyl-N-methyl-2-(2,3,6-trimethylphenoxy)ethanamine

1-cyclohexyl-N-methyl-2-(2,3,6-trimethylphenoxy)ethanamine (PubChem CID 104749034) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-cyclohexyl-N-methyl-2-(2,3,6-trimethylphenoxy)ethanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-methyl-2-(2,3,6-trimethylphenoxy)ethanamine
PubChem CID104749034
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-cyclohexyl-N-methyl-2-(2,3,6-trimethylphenoxy)ethanamine
SMILESCNC(COc1c(C)ccc(C)c1C)C1CCCCC1
InChIInChI=1S/C18H29NO/c1-13-10-11-14(2)18(15(13)3)20-12-17(19-4)16-8-6-5-7-9-16/h10-11,16-17,19H,5-9,12H2,1-4H3
InChIKeyONPLAKSQHZLXBB-UHFFFAOYSA-N
XLogP4.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclohexyl-N-methyl-2-(2,3,6-trimethylphenoxy)ethanamine 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

1-cyclohexyl-2-(2,6-dimethylphenoxy)-N-methylethanamine
CID 104748343
2-(5-chloro-2-methylphenoxy)-1-cyclohexyl-N-methylethanamine
CID 104749564
1-cyclopentyl-2-(3,5-dimethylphenoxy)-N-methylethanamine
CID 113448551
2-(4-tert-butylphenoxy)-1-cyclohexyl-N-methylethanamine
CID 104748472
2-(2-chloro-4-methylphenoxy)-1-cyclohexyl-N-methylethanamine
CID 104749395
1-cyclopropyl-N-methyl-2-(2,3,5-trimethylphenoxy)ethanamine
CID 63907720
1-cyclohexyl-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)ethanamine
CID 104748451
1-cyclohexyl-N-methyl-2-naphthalen-2-yloxyethanamine
CID 104748601
1-cyclopentyl-2-(2-methoxy-4-methylphenoxy)-N-methylethanamine
CID 104748636
1-cyclohexyl-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethanamine
CID 104749235
2-(2-tert-butylphenoxy)-1-cyclohexyl-N-methylethanamine
CID 104748352
N-[cyclohexyl-(2-methoxy-3,4-dimethylphenyl)methyl]ethanamine
CID 103433380

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-methyl-2-(2,3,6-trimethylphenoxy)ethanamine?
The IUPAC name of 1-cyclohexyl-N-methyl-2-(2,3,6-trimethylphenoxy)ethanamine (CID 104749034) is 1-cyclohexyl-N-methyl-2-(2,3,6-trimethylphenoxy)ethanamine.
What is the SMILES notation for 1-cyclohexyl-N-methyl-2-(2,3,6-trimethylphenoxy)ethanamine?
The canonical SMILES for 1-cyclohexyl-N-methyl-2-(2,3,6-trimethylphenoxy)ethanamine is CNC(COc1c(C)ccc(C)c1C)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-methyl-2-(2,3,6-trimethylphenoxy)ethanamine?
The InChIKey is ONPLAKSQHZLXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-13-10-11-14(2)18(15(13)3)20-12-17(19-4)16-8-6-5-7-9-16/h10-11,16-17,19H,5-9,12H2,1-4H3.
What are the key properties of 1-cyclohexyl-N-methyl-2-(2,3,6-trimethylphenoxy)ethanamine?
1-cyclohexyl-N-methyl-2-(2,3,6-trimethylphenoxy)ethanamine has a molecular weight of 275.44 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-methyl-2-(2,3,6-trimethylphenoxy)ethanamine is sourced from PubChem (CID 104749034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).