6-(1-aminocyclohexyl)-3,4-dimethylbenzene-1,2-diol

C14H21NO2 — CID 117343165

IUPAC6-(1-aminocyclohexyl)-3,4-dimethylbenzene-1,2-diol
SMILESCc1cc(C2(N)CCCCC2)c(O)c(O)c1C
InChIInChI=1S/C14H21NO2/c1-9-8-11(13(17)12(16)10(9)2)14(15)6-4-3-5-7-14/h8,16-17H,3-7,15H2,1-2H3
InChIKeyQNOQJEDIPFCYSN-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.83
Rot. Bonds1

About 6-(1-aminocyclohexyl)-3,4-dimethylbenzene-1,2-diol

6-(1-aminocyclohexyl)-3,4-dimethylbenzene-1,2-diol (PubChem CID 117343165) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 6-(1-aminocyclohexyl)-3,4-dimethylbenzene-1,2-diol.

Molecular Properties

Compound Name6-(1-aminocyclohexyl)-3,4-dimethylbenzene-1,2-diol
PubChem CID117343165
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name6-(1-aminocyclohexyl)-3,4-dimethylbenzene-1,2-diol
SMILESCc1cc(C2(N)CCCCC2)c(O)c(O)c1C
InChIInChI=1S/C14H21NO2/c1-9-8-11(13(17)12(16)10(9)2)14(15)6-4-3-5-7-14/h8,16-17H,3-7,15H2,1-2H3
InChIKeyQNOQJEDIPFCYSN-UHFFFAOYSA-N
XLogP2.83
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

6-(1-aminocyclopropyl)-3,4-dimethylbenzene-1,2-diol
CID 117283660
4-(1-aminocyclohexyl)-2,3,6-trimethylphenol
CID 117114619
2-(1-aminocyclopentyl)-3,5,6-trimethylphenol
CID 117112800
3-(1-aminocyclopropyl)-2-methoxy-5,6-dimethylphenol
CID 117296160
2-(1-aminocyclohexyl)-6-fluoro-4-methylphenol
CID 117320128
1-(5-bromo-2,3-dimethylphenyl)cyclohexan-1-amine
CID 117453302
3-(1-aminocyclohexyl)-2-fluoro-6-methoxy-5-methylphenol
CID 117386077
2-(1-aminocyclohexyl)-6-tert-butyl-4-methylphenol
CID 117408744
2-(1-aminocyclopentyl)-6-chloro-3,4-dimethylphenol
CID 117352045
3-(1-aminocyclohexyl)-4-bromo-5-methylphenol
CID 84813037
3-(1-aminocyclohexyl)-4,5-dimethylbenzonitrile
CID 117329243
5-(1-aminocyclohexyl)-3-methylbenzene-1,2-diol
CID 117316475

Frequently Asked Questions

What is the IUPAC name of 6-(1-aminocyclohexyl)-3,4-dimethylbenzene-1,2-diol?
The IUPAC name of 6-(1-aminocyclohexyl)-3,4-dimethylbenzene-1,2-diol (CID 117343165) is 6-(1-aminocyclohexyl)-3,4-dimethylbenzene-1,2-diol.
What is the SMILES notation for 6-(1-aminocyclohexyl)-3,4-dimethylbenzene-1,2-diol?
The canonical SMILES for 6-(1-aminocyclohexyl)-3,4-dimethylbenzene-1,2-diol is Cc1cc(C2(N)CCCCC2)c(O)c(O)c1C.
What is the InChIKey of 6-(1-aminocyclohexyl)-3,4-dimethylbenzene-1,2-diol?
The InChIKey is QNOQJEDIPFCYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-9-8-11(13(17)12(16)10(9)2)14(15)6-4-3-5-7-14/h8,16-17H,3-7,15H2,1-2H3.
What are the key properties of 6-(1-aminocyclohexyl)-3,4-dimethylbenzene-1,2-diol?
6-(1-aminocyclohexyl)-3,4-dimethylbenzene-1,2-diol has a molecular weight of 235.33 g/mol, XLogP of 2.83, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-aminocyclohexyl)-3,4-dimethylbenzene-1,2-diol is sourced from PubChem (CID 117343165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).