6-(3-tert-butylphenoxy)-N,2,2-trimethylcyclohexan-1-amine

C19H31NO — CID 79835479

IUPAC6-(3-tert-butylphenoxy)-N,2,2-trimethylcyclohexan-1-amine
SMILESCNC1C(Oc2cccc(C(C)(C)C)c2)CCCC1(C)C
InChIInChI=1S/C19H31NO/c1-18(2,3)14-9-7-10-15(13-14)21-16-11-8-12-19(4,5)17(16)20-6/h7,9-10,13,16-17,20H,8,11-12H2,1-6H3
InChIKeyOHYKJGBVAZPERH-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.53
Rot. Bonds3

About 6-(3-tert-butylphenoxy)-N,2,2-trimethylcyclohexan-1-amine

6-(3-tert-butylphenoxy)-N,2,2-trimethylcyclohexan-1-amine (PubChem CID 79835479) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 6-(3-tert-butylphenoxy)-N,2,2-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name6-(3-tert-butylphenoxy)-N,2,2-trimethylcyclohexan-1-amine
PubChem CID79835479
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name6-(3-tert-butylphenoxy)-N,2,2-trimethylcyclohexan-1-amine
SMILESCNC1C(Oc2cccc(C(C)(C)C)c2)CCCC1(C)C
InChIInChI=1S/C19H31NO/c1-18(2,3)14-9-7-10-15(13-14)21-16-11-8-12-19(4,5)17(16)20-6/h7,9-10,13,16-17,20H,8,11-12H2,1-6H3
InChIKeyOHYKJGBVAZPERH-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-fluorophenoxy)-N,2,2-trimethylcyclopentan-1-amine
CID 79859640
N-ethyl-6-(3-fluorophenoxy)-2,2-dimethylcyclohexan-1-amine
CID 79837063
[2-(3-tert-butylphenoxy)cyclopentyl]methanamine
CID 43294221
3-(3-tert-butylphenoxy)-N-methylcyclohexan-1-amine
CID 79618131
6-(5-chloro-2-methylphenoxy)-N,2,2-trimethylcyclohexan-1-amine
CID 79836411
6-(5-fluoro-2-methylphenoxy)-N,2,2-trimethylcyclohexan-1-amine
CID 102980961
2,2-dimethyl-6-(3-methylphenoxy)cyclohexan-1-amine
CID 79835658
3-(3-tert-butylphenoxy)-2-ethoxy-N-methylcyclobutan-1-amine
CID 104676314
6-(3-fluorophenoxy)-2,2-dimethylcyclohexan-1-amine
CID 79836584
6-(3-ethoxyphenoxy)-2,2-dimethylcyclohexan-1-ol
CID 79847470
1-amino-3-(3-tert-butylphenoxy)cyclohexane-1-carboxylic acid
CID 79635261
6-(3-fluoro-4-methylphenoxy)-2,2-dimethyl-N-propylcyclohexan-1-amine
CID 107168928

Frequently Asked Questions

What is the IUPAC name of 6-(3-tert-butylphenoxy)-N,2,2-trimethylcyclohexan-1-amine?
The IUPAC name of 6-(3-tert-butylphenoxy)-N,2,2-trimethylcyclohexan-1-amine (CID 79835479) is 6-(3-tert-butylphenoxy)-N,2,2-trimethylcyclohexan-1-amine.
What is the SMILES notation for 6-(3-tert-butylphenoxy)-N,2,2-trimethylcyclohexan-1-amine?
The canonical SMILES for 6-(3-tert-butylphenoxy)-N,2,2-trimethylcyclohexan-1-amine is CNC1C(Oc2cccc(C(C)(C)C)c2)CCCC1(C)C.
What is the InChIKey of 6-(3-tert-butylphenoxy)-N,2,2-trimethylcyclohexan-1-amine?
The InChIKey is OHYKJGBVAZPERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-18(2,3)14-9-7-10-15(13-14)21-16-11-8-12-19(4,5)17(16)20-6/h7,9-10,13,16-17,20H,8,11-12H2,1-6H3.
What are the key properties of 6-(3-tert-butylphenoxy)-N,2,2-trimethylcyclohexan-1-amine?
6-(3-tert-butylphenoxy)-N,2,2-trimethylcyclohexan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-tert-butylphenoxy)-N,2,2-trimethylcyclohexan-1-amine is sourced from PubChem (CID 79835479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).