2-(1-aminocyclohexyl)-6-tert-butyl-4-methylphenol

C17H27NO — CID 117408744

IUPAC2-(1-aminocyclohexyl)-6-tert-butyl-4-methylphenol
SMILESCc1cc(C(C)(C)C)c(O)c(C2(N)CCCCC2)c1
InChIInChI=1S/C17H27NO/c1-12-10-13(16(2,3)4)15(19)14(11-12)17(18)8-6-5-7-9-17/h10-11,19H,5-9,18H2,1-4H3
InChIKeyGWFREMKSZQAWMM-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.12
Rot. Bonds1

About 2-(1-aminocyclohexyl)-6-tert-butyl-4-methylphenol

2-(1-aminocyclohexyl)-6-tert-butyl-4-methylphenol (PubChem CID 117408744) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-6-tert-butyl-4-methylphenol.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-6-tert-butyl-4-methylphenol
PubChem CID117408744
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-(1-aminocyclohexyl)-6-tert-butyl-4-methylphenol
SMILESCc1cc(C(C)(C)C)c(O)c(C2(N)CCCCC2)c1
InChIInChI=1S/C17H27NO/c1-12-10-13(16(2,3)4)15(19)14(11-12)17(18)8-6-5-7-9-17/h10-11,19H,5-9,18H2,1-4H3
InChIKeyGWFREMKSZQAWMM-UHFFFAOYSA-N
XLogP4.12
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-(1-aminocyclohexyl)-6-fluoro-4-methylphenol
CID 117320128
2-(1-aminocyclobutyl)-6-fluoro-4-methylphenol
CID 117285395
6-(1-aminocyclohexyl)-3,4-dimethylbenzene-1,2-diol
CID 117343165
tris(2,6-ditert-butyl-4-methylphenol);samarium
CID 11193670
2,6-ditert-butyl-4-methylphenol;methanol
CID 161478470
Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-, sodium salt
CID 87970249
2-tert-butyl-6-(1-isocyanatocyclobutyl)-4-methylphenol
CID 117402312
1-(2-tert-butylphenyl)cyclohexan-1-amine
CID 84794895
2,6-ditert-butyl-4-methylphenol;zirconium;hydrochloride
CID 87931050
2,6-ditert-butyl-4-methylphenol;titanium(2+);dichloride
CID 87485865
carbanide;cyclopentane;2,6-ditert-butyl-4-methylphenol;dichlorotitanium
CID 162285588
4-(1-aminocyclohexyl)-2,3,6-trimethylphenol
CID 117114619

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-6-tert-butyl-4-methylphenol?
The IUPAC name of 2-(1-aminocyclohexyl)-6-tert-butyl-4-methylphenol (CID 117408744) is 2-(1-aminocyclohexyl)-6-tert-butyl-4-methylphenol.
What is the SMILES notation for 2-(1-aminocyclohexyl)-6-tert-butyl-4-methylphenol?
The canonical SMILES for 2-(1-aminocyclohexyl)-6-tert-butyl-4-methylphenol is Cc1cc(C(C)(C)C)c(O)c(C2(N)CCCCC2)c1.
What is the InChIKey of 2-(1-aminocyclohexyl)-6-tert-butyl-4-methylphenol?
The InChIKey is GWFREMKSZQAWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12-10-13(16(2,3)4)15(19)14(11-12)17(18)8-6-5-7-9-17/h10-11,19H,5-9,18H2,1-4H3.
What are the key properties of 2-(1-aminocyclohexyl)-6-tert-butyl-4-methylphenol?
2-(1-aminocyclohexyl)-6-tert-butyl-4-methylphenol has a molecular weight of 261.41 g/mol, XLogP of 4.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-6-tert-butyl-4-methylphenol is sourced from PubChem (CID 117408744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).