[2-(4-ethoxyphenoxy)-4-methylcyclohexyl]methanamine

C16H25NO2 — CID 43293855

IUPAC[2-(4-ethoxyphenoxy)-4-methylcyclohexyl]methanamine
SMILESCCOc1ccc(OC2CC(C)CCC2CN)cc1
InChIInChI=1S/C16H25NO2/c1-3-18-14-6-8-15(9-7-14)19-16-10-12(2)4-5-13(16)11-17/h6-9,12-13,16H,3-5,10-11,17H2,1-2H3
InChIKeyCSSNOXGILDCLOJ-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.23
Rot. Bonds5

About [2-(4-ethoxyphenoxy)-4-methylcyclohexyl]methanamine

[2-(4-ethoxyphenoxy)-4-methylcyclohexyl]methanamine (PubChem CID 43293855) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is [2-(4-ethoxyphenoxy)-4-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(4-ethoxyphenoxy)-4-methylcyclohexyl]methanamine
PubChem CID43293855
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name[2-(4-ethoxyphenoxy)-4-methylcyclohexyl]methanamine
SMILESCCOc1ccc(OC2CC(C)CCC2CN)cc1
InChIInChI=1S/C16H25NO2/c1-3-18-14-6-8-15(9-7-14)19-16-10-12(2)4-5-13(16)11-17/h6-9,12-13,16H,3-5,10-11,17H2,1-2H3
InChIKeyCSSNOXGILDCLOJ-UHFFFAOYSA-N
XLogP3.23
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-methoxyphenoxy)-4-methylcyclohexyl]methanamine
CID 43293897
[2-(3-tert-butylphenoxy)-4-methylcyclohexyl]methanamine
CID 43294223
[2-(2-ethylphenoxy)-4-methylcyclohexyl]methanamine
CID 43294242
2-(4-ethoxyphenoxy)-4-propylcyclohexan-1-amine
CID 60916863
[4-methyl-2-(2,3,6-trimethylphenoxy)cyclohexyl]methanamine
CID 43428941
[2-(2-methoxyphenoxy)-4-methylcyclohexyl]methanamine
CID 43293992
[4-methyl-2-[3-(trifluoromethyl)phenoxy]cyclohexyl]methanamine
CID 43294072
[2-(2-fluorophenoxy)-4-methylcyclohexyl]methanamine
CID 43293926
[4-methyl-2-(4-propoxyphenyl)cyclohexyl]methanamine
CID 81010748
[2-(2,4-dichlorophenoxy)-4-methylcyclohexyl]methanamine
CID 43531167
2-(4-ethoxyphenoxy)-4-propan-2-ylcyclohexan-1-amine
CID 62704274
[2-(2-methoxy-4-methylphenoxy)-4-methylcyclohexyl]methanamine
CID 43294041

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyphenoxy)-4-methylcyclohexyl]methanamine?
The IUPAC name of [2-(4-ethoxyphenoxy)-4-methylcyclohexyl]methanamine (CID 43293855) is [2-(4-ethoxyphenoxy)-4-methylcyclohexyl]methanamine.
What is the SMILES notation for [2-(4-ethoxyphenoxy)-4-methylcyclohexyl]methanamine?
The canonical SMILES for [2-(4-ethoxyphenoxy)-4-methylcyclohexyl]methanamine is CCOc1ccc(OC2CC(C)CCC2CN)cc1.
What is the InChIKey of [2-(4-ethoxyphenoxy)-4-methylcyclohexyl]methanamine?
The InChIKey is CSSNOXGILDCLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-18-14-6-8-15(9-7-14)19-16-10-12(2)4-5-13(16)11-17/h6-9,12-13,16H,3-5,10-11,17H2,1-2H3.
What are the key properties of [2-(4-ethoxyphenoxy)-4-methylcyclohexyl]methanamine?
[2-(4-ethoxyphenoxy)-4-methylcyclohexyl]methanamine has a molecular weight of 263.38 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxyphenoxy)-4-methylcyclohexyl]methanamine is sourced from PubChem (CID 43293855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).