2,2-dimethyl-6-(2-methylphenoxy)cyclohexan-1-amine

C15H23NO — CID 79836746

IUPAC2,2-dimethyl-6-(2-methylphenoxy)cyclohexan-1-amine
SMILESCc1ccccc1OC1CCCC(C)(C)C1N
InChIInChI=1S/C15H23NO/c1-11-7-4-5-8-12(11)17-13-9-6-10-15(2,3)14(13)16/h4-5,7-8,13-14H,6,9-10,16H2,1-3H3
InChIKeyKHLOPKDQLULTAM-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.28
Rot. Bonds2

About 2,2-dimethyl-6-(2-methylphenoxy)cyclohexan-1-amine

2,2-dimethyl-6-(2-methylphenoxy)cyclohexan-1-amine (PubChem CID 79836746) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 2,2-dimethyl-6-(2-methylphenoxy)cyclohexan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-6-(2-methylphenoxy)cyclohexan-1-amine
PubChem CID79836746
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name2,2-dimethyl-6-(2-methylphenoxy)cyclohexan-1-amine
SMILESCc1ccccc1OC1CCCC(C)(C)C1N
InChIInChI=1S/C15H23NO/c1-11-7-4-5-8-12(11)17-13-9-6-10-15(2,3)14(13)16/h4-5,7-8,13-14H,6,9-10,16H2,1-3H3
InChIKeyKHLOPKDQLULTAM-UHFFFAOYSA-N
XLogP3.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(2-methylphenoxy)cyclohexan-1-amine?
The IUPAC name of 2,2-dimethyl-6-(2-methylphenoxy)cyclohexan-1-amine (CID 79836746) is 2,2-dimethyl-6-(2-methylphenoxy)cyclohexan-1-amine.
What is the SMILES notation for 2,2-dimethyl-6-(2-methylphenoxy)cyclohexan-1-amine?
The canonical SMILES for 2,2-dimethyl-6-(2-methylphenoxy)cyclohexan-1-amine is Cc1ccccc1OC1CCCC(C)(C)C1N.
What is the InChIKey of 2,2-dimethyl-6-(2-methylphenoxy)cyclohexan-1-amine?
The InChIKey is KHLOPKDQLULTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-7-4-5-8-12(11)17-13-9-6-10-15(2,3)14(13)16/h4-5,7-8,13-14H,6,9-10,16H2,1-3H3.
What are the key properties of 2,2-dimethyl-6-(2-methylphenoxy)cyclohexan-1-amine?
2,2-dimethyl-6-(2-methylphenoxy)cyclohexan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(2-methylphenoxy)cyclohexan-1-amine is sourced from PubChem (CID 79836746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).