1-cyclohexyl-2-(2,4-dimethylphenoxy)ethanamine

C16H25NO — CID 104748372

IUPAC1-cyclohexyl-2-(2,4-dimethylphenoxy)ethanamine
SMILESCc1ccc(OCC(N)C2CCCCC2)c(C)c1
InChIInChI=1S/C16H25NO/c1-12-8-9-16(13(2)10-12)18-11-15(17)14-6-4-3-5-7-14/h8-10,14-15H,3-7,11,17H2,1-2H3
InChIKeyCSNMZYBNKGGMJR-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.59
Rot. Bonds4

About 1-cyclohexyl-2-(2,4-dimethylphenoxy)ethanamine

1-cyclohexyl-2-(2,4-dimethylphenoxy)ethanamine (PubChem CID 104748372) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-cyclohexyl-2-(2,4-dimethylphenoxy)ethanamine.

Molecular Properties

Compound Name1-cyclohexyl-2-(2,4-dimethylphenoxy)ethanamine
PubChem CID104748372
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-cyclohexyl-2-(2,4-dimethylphenoxy)ethanamine
SMILESCc1ccc(OCC(N)C2CCCCC2)c(C)c1
InChIInChI=1S/C16H25NO/c1-12-8-9-16(13(2)10-12)18-11-15(17)14-6-4-3-5-7-14/h8-10,14-15H,3-7,11,17H2,1-2H3
InChIKeyCSNMZYBNKGGMJR-UHFFFAOYSA-N
XLogP3.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-cyclopropyl-2-(2,4-dimethylphenoxy)ethanamine
CID 95252700
2-(4-tert-butyl-2-methylphenoxy)-1-cyclohexylethanamine
CID 104749049
2-(4-tert-butyl-2-methylphenoxy)-1-cyclopropylethanamine
CID 63907312
1-cyclopentyl-2-(3,4-dimethylphenoxy)ethanamine
CID 104748507
1-cyclohexyl-2-(2,6-dimethylphenoxy)ethanamine;hydrochloride
CID 162334204
1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanamine
CID 80603088
N-[3-(2,4-dimethylphenoxy)-2-methylpropyl]cyclopropanamine
CID 62453653
cyclooctyl-(2-ethoxy-5-methylphenyl)methanamine
CID 65018902
2-(2-tert-butyl-4-ethylphenoxy)-1-cyclopentylethanamine
CID 104748287
1-cyclohexyl-2-(2-methoxy-4-methylphenoxy)ethanol
CID 104753531
1-[cyclohexyl(ethyl)amino]-3-(2,4-dimethylphenoxy)propan-2-ol chloride
CID 21237610
2-(2,4-dimethylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104748375

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(2,4-dimethylphenoxy)ethanamine?
The IUPAC name of 1-cyclohexyl-2-(2,4-dimethylphenoxy)ethanamine (CID 104748372) is 1-cyclohexyl-2-(2,4-dimethylphenoxy)ethanamine.
What is the SMILES notation for 1-cyclohexyl-2-(2,4-dimethylphenoxy)ethanamine?
The canonical SMILES for 1-cyclohexyl-2-(2,4-dimethylphenoxy)ethanamine is Cc1ccc(OCC(N)C2CCCCC2)c(C)c1.
What is the InChIKey of 1-cyclohexyl-2-(2,4-dimethylphenoxy)ethanamine?
The InChIKey is CSNMZYBNKGGMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-8-9-16(13(2)10-12)18-11-15(17)14-6-4-3-5-7-14/h8-10,14-15H,3-7,11,17H2,1-2H3.
What are the key properties of 1-cyclohexyl-2-(2,4-dimethylphenoxy)ethanamine?
1-cyclohexyl-2-(2,4-dimethylphenoxy)ethanamine has a molecular weight of 247.38 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(2,4-dimethylphenoxy)ethanamine is sourced from PubChem (CID 104748372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).