6-(4-ethoxyphenoxy)-2,2-dimethylcyclohexan-1-amine

C16H25NO2 — CID 79836385

IUPAC6-(4-ethoxyphenoxy)-2,2-dimethylcyclohexan-1-amine
SMILESCCOc1ccc(OC2CCCC(C)(C)C2N)cc1
InChIInChI=1S/C16H25NO2/c1-4-18-12-7-9-13(10-8-12)19-14-6-5-11-16(2,3)15(14)17/h7-10,14-15H,4-6,11,17H2,1-3H3
InChIKeyNJIIPFNGASOMGC-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.37
Rot. Bonds4

About 6-(4-ethoxyphenoxy)-2,2-dimethylcyclohexan-1-amine

6-(4-ethoxyphenoxy)-2,2-dimethylcyclohexan-1-amine (PubChem CID 79836385) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 6-(4-ethoxyphenoxy)-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name6-(4-ethoxyphenoxy)-2,2-dimethylcyclohexan-1-amine
PubChem CID79836385
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name6-(4-ethoxyphenoxy)-2,2-dimethylcyclohexan-1-amine
SMILESCCOc1ccc(OC2CCCC(C)(C)C2N)cc1
InChIInChI=1S/C16H25NO2/c1-4-18-12-7-9-13(10-8-12)19-14-6-5-11-16(2,3)15(14)17/h7-10,14-15H,4-6,11,17H2,1-3H3
InChIKeyNJIIPFNGASOMGC-UHFFFAOYSA-N
XLogP3.37
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3,4-dimethylphenoxy)-2,2-dimethylcyclohexan-1-amine
CID 79837059
6-(3,5-difluorophenoxy)-2,2-dimethylcyclohexan-1-amine
CID 79834962
2,2-dimethyl-6-(3-methylphenoxy)cyclohexan-1-amine
CID 79835658
6-(3-fluorophenoxy)-2,2-dimethylcyclohexan-1-amine
CID 79836584
2,2-dimethyl-6-(2-phenoxyethoxy)cyclohexan-1-amine
CID 79836751
6-(3-ethoxyphenoxy)-2,2-dimethylcyclohexan-1-ol
CID 79847470
2,2-dimethyl-6-(2-methylphenoxy)cyclohexan-1-amine
CID 79836746
5-[4-(2-methoxyethyl)phenoxy]-2,2-dimethylcyclopentan-1-amine
CID 79857865
2-(4-ethoxyphenyl)cyclohexan-1-amine
CID 62800786
(2,2-dimethylcyclohexyl)-(4-ethoxyphenyl)methanamine
CID 107176964
3-amino-1-(2,2-dimethylcyclopentyl)-2-(4-ethoxyphenyl)propan-1-ol
CID 107185333
1-(2,2-dimethylcyclopentyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 107177179

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenoxy)-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of 6-(4-ethoxyphenoxy)-2,2-dimethylcyclohexan-1-amine (CID 79836385) is 6-(4-ethoxyphenoxy)-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for 6-(4-ethoxyphenoxy)-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for 6-(4-ethoxyphenoxy)-2,2-dimethylcyclohexan-1-amine is CCOc1ccc(OC2CCCC(C)(C)C2N)cc1.
What is the InChIKey of 6-(4-ethoxyphenoxy)-2,2-dimethylcyclohexan-1-amine?
The InChIKey is NJIIPFNGASOMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-18-12-7-9-13(10-8-12)19-14-6-5-11-16(2,3)15(14)17/h7-10,14-15H,4-6,11,17H2,1-3H3.
What are the key properties of 6-(4-ethoxyphenoxy)-2,2-dimethylcyclohexan-1-amine?
6-(4-ethoxyphenoxy)-2,2-dimethylcyclohexan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyphenoxy)-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79836385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).