2,2-dimethyl-6-(3-methylphenoxy)cyclohexan-1-amine

C15H23NO — CID 79835658

IUPAC2,2-dimethyl-6-(3-methylphenoxy)cyclohexan-1-amine
SMILESCc1cccc(OC2CCCC(C)(C)C2N)c1
InChIInChI=1S/C15H23NO/c1-11-6-4-7-12(10-11)17-13-8-5-9-15(2,3)14(13)16/h4,6-7,10,13-14H,5,8-9,16H2,1-3H3
InChIKeyJXPMNWXZRKJEBM-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.28
Rot. Bonds2

About 2,2-dimethyl-6-(3-methylphenoxy)cyclohexan-1-amine

2,2-dimethyl-6-(3-methylphenoxy)cyclohexan-1-amine (PubChem CID 79835658) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 2,2-dimethyl-6-(3-methylphenoxy)cyclohexan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-6-(3-methylphenoxy)cyclohexan-1-amine
PubChem CID79835658
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name2,2-dimethyl-6-(3-methylphenoxy)cyclohexan-1-amine
SMILESCc1cccc(OC2CCCC(C)(C)C2N)c1
InChIInChI=1S/C15H23NO/c1-11-6-4-7-12(10-11)17-13-8-5-9-15(2,3)14(13)16/h4,6-7,10,13-14H,5,8-9,16H2,1-3H3
InChIKeyJXPMNWXZRKJEBM-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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Related Compounds

6-(3-fluorophenoxy)-2,2-dimethylcyclohexan-1-amine
CID 79836584
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-(2-methylphenoxy)cyclohexan-1-amine
CID 79836746
6-(4-ethoxyphenoxy)-2,2-dimethylcyclohexan-1-amine
CID 79836385
2,2-dimethyl-6-(2-phenoxyethoxy)cyclohexan-1-amine
CID 79836751
6-(5-chloro-2-methylphenoxy)-2,2-dimethylcyclohexan-1-amine
CID 79836604
6-(3-ethoxyphenoxy)-2,2-dimethylcyclohexan-1-ol
CID 79847470
(3-methylphenoxy)cyclononane
CID 145391482
6-(3-tert-butylphenoxy)-N,2,2-trimethylcyclohexan-1-amine
CID 79835479
N-ethyl-6-(3-fluorophenoxy)-2,2-dimethylcyclohexan-1-amine
CID 79837063
6-(3-methoxyphenyl)sulfonyl-2,2-dimethylcyclohexan-1-amine
CID 79848176

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(3-methylphenoxy)cyclohexan-1-amine?
The IUPAC name of 2,2-dimethyl-6-(3-methylphenoxy)cyclohexan-1-amine (CID 79835658) is 2,2-dimethyl-6-(3-methylphenoxy)cyclohexan-1-amine.
What is the SMILES notation for 2,2-dimethyl-6-(3-methylphenoxy)cyclohexan-1-amine?
The canonical SMILES for 2,2-dimethyl-6-(3-methylphenoxy)cyclohexan-1-amine is Cc1cccc(OC2CCCC(C)(C)C2N)c1.
What is the InChIKey of 2,2-dimethyl-6-(3-methylphenoxy)cyclohexan-1-amine?
The InChIKey is JXPMNWXZRKJEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-6-4-7-12(10-11)17-13-8-5-9-15(2,3)14(13)16/h4,6-7,10,13-14H,5,8-9,16H2,1-3H3.
What are the key properties of 2,2-dimethyl-6-(3-methylphenoxy)cyclohexan-1-amine?
2,2-dimethyl-6-(3-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-(3-methylphenoxy)cyclohexan-1-amine is sourced from PubChem (CID 79835658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).