4-(1-aminocyclohexyl)-2,3,6-trimethylphenol

C15H23NO — CID 117114619

IUPAC4-(1-aminocyclohexyl)-2,3,6-trimethylphenol
SMILESCc1cc(C2(N)CCCCC2)c(C)c(C)c1O
InChIInChI=1S/C15H23NO/c1-10-9-13(11(2)12(3)14(10)17)15(16)7-5-4-6-8-15/h9,17H,4-8,16H2,1-3H3
InChIKeyYLBLUWCBKBVCPG-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.44
Rot. Bonds1

About 4-(1-aminocyclohexyl)-2,3,6-trimethylphenol

4-(1-aminocyclohexyl)-2,3,6-trimethylphenol (PubChem CID 117114619) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 4-(1-aminocyclohexyl)-2,3,6-trimethylphenol.

Molecular Properties

Compound Name4-(1-aminocyclohexyl)-2,3,6-trimethylphenol
PubChem CID117114619
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name4-(1-aminocyclohexyl)-2,3,6-trimethylphenol
SMILESCc1cc(C2(N)CCCCC2)c(C)c(C)c1O
InChIInChI=1S/C15H23NO/c1-10-9-13(11(2)12(3)14(10)17)15(16)7-5-4-6-8-15/h9,17H,4-8,16H2,1-3H3
InChIKeyYLBLUWCBKBVCPG-UHFFFAOYSA-N
XLogP3.44
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-(1-aminocyclohexyl)-3,4-dimethylbenzene-1,2-diol
CID 117343165
4-[1-(aminomethyl)cyclohexyl]-2,3,6-trimethylphenol
CID 117113435
4-[1-(aminomethyl)cyclopentyl]-2,3,6-trimethylphenol
CID 117113307
3-(1-aminocyclohexyl)-4-bromo-5-methylphenol
CID 84813037
6-(1-aminocyclopropyl)-3,4-dimethylbenzene-1,2-diol
CID 117283660
1-(5-bromo-2,3-dimethylphenyl)cyclohexan-1-amine
CID 117453302
5-(1-aminocyclohexyl)-3-methylbenzene-1,2-diol
CID 117316475
3-(1-aminocyclohexyl)-2-fluoro-6-methoxy-5-methylphenol
CID 117386077
2-(1-aminocyclopentyl)-3,5,6-trimethylphenol
CID 117112800
2-(1-aminocyclohexyl)-6-fluoro-4-methylphenol
CID 117320128
2-(1-aminocyclohexyl)-6-tert-butyl-4-methylphenol
CID 117408744
3-(1-aminocyclohexyl)-4,5-dimethylbenzonitrile
CID 117329243

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminocyclohexyl)-2,3,6-trimethylphenol?
The IUPAC name of 4-(1-aminocyclohexyl)-2,3,6-trimethylphenol (CID 117114619) is 4-(1-aminocyclohexyl)-2,3,6-trimethylphenol.
What is the SMILES notation for 4-(1-aminocyclohexyl)-2,3,6-trimethylphenol?
The canonical SMILES for 4-(1-aminocyclohexyl)-2,3,6-trimethylphenol is Cc1cc(C2(N)CCCCC2)c(C)c(C)c1O.
What is the InChIKey of 4-(1-aminocyclohexyl)-2,3,6-trimethylphenol?
The InChIKey is YLBLUWCBKBVCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-10-9-13(11(2)12(3)14(10)17)15(16)7-5-4-6-8-15/h9,17H,4-8,16H2,1-3H3.
What are the key properties of 4-(1-aminocyclohexyl)-2,3,6-trimethylphenol?
4-(1-aminocyclohexyl)-2,3,6-trimethylphenol has a molecular weight of 233.35 g/mol, XLogP of 3.44, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminocyclohexyl)-2,3,6-trimethylphenol is sourced from PubChem (CID 117114619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).