6-(3,4-dimethylphenoxy)-2,2-dimethylcyclohexan-1-amine

C16H25NO — CID 79837059

IUPAC6-(3,4-dimethylphenoxy)-2,2-dimethylcyclohexan-1-amine
SMILESCc1ccc(OC2CCCC(C)(C)C2N)cc1C
InChIInChI=1S/C16H25NO/c1-11-7-8-13(10-12(11)2)18-14-6-5-9-16(3,4)15(14)17/h7-8,10,14-15H,5-6,9,17H2,1-4H3
InChIKeyCBVWUTBRMXQQBG-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.59
Rot. Bonds2

About 6-(3,4-dimethylphenoxy)-2,2-dimethylcyclohexan-1-amine

6-(3,4-dimethylphenoxy)-2,2-dimethylcyclohexan-1-amine (PubChem CID 79837059) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 6-(3,4-dimethylphenoxy)-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name6-(3,4-dimethylphenoxy)-2,2-dimethylcyclohexan-1-amine
PubChem CID79837059
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name6-(3,4-dimethylphenoxy)-2,2-dimethylcyclohexan-1-amine
SMILESCc1ccc(OC2CCCC(C)(C)C2N)cc1C
InChIInChI=1S/C16H25NO/c1-11-7-8-13(10-12(11)2)18-14-6-5-9-16(3,4)15(14)17/h7-8,10,14-15H,5-6,9,17H2,1-4H3
InChIKeyCBVWUTBRMXQQBG-UHFFFAOYSA-N
XLogP3.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylphenoxy)-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of 6-(3,4-dimethylphenoxy)-2,2-dimethylcyclohexan-1-amine (CID 79837059) is 6-(3,4-dimethylphenoxy)-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for 6-(3,4-dimethylphenoxy)-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for 6-(3,4-dimethylphenoxy)-2,2-dimethylcyclohexan-1-amine is Cc1ccc(OC2CCCC(C)(C)C2N)cc1C.
What is the InChIKey of 6-(3,4-dimethylphenoxy)-2,2-dimethylcyclohexan-1-amine?
The InChIKey is CBVWUTBRMXQQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-11-7-8-13(10-12(11)2)18-14-6-5-9-16(3,4)15(14)17/h7-8,10,14-15H,5-6,9,17H2,1-4H3.
What are the key properties of 6-(3,4-dimethylphenoxy)-2,2-dimethylcyclohexan-1-amine?
6-(3,4-dimethylphenoxy)-2,2-dimethylcyclohexan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylphenoxy)-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79837059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).