4-(2-amino-6-methylanilino)cyclohexan-1-ol

C13H20N2O — CID 104966691

IUPAC4-(2-amino-6-methylanilino)cyclohexan-1-ol
SMILESCc1cccc(N)c1NC1CCC(O)CC1
InChIInChI=1S/C13H20N2O/c1-9-3-2-4-12(14)13(9)15-10-5-7-11(16)8-6-10/h2-4,10-11,15-16H,5-8,14H2,1H3
InChIKeyXXDGFKNISZLVGH-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.29
Rot. Bonds2

About 4-(2-amino-6-methylanilino)cyclohexan-1-ol

4-(2-amino-6-methylanilino)cyclohexan-1-ol (PubChem CID 104966691) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-(2-amino-6-methylanilino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(2-amino-6-methylanilino)cyclohexan-1-ol
PubChem CID104966691
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name4-(2-amino-6-methylanilino)cyclohexan-1-ol
SMILESCc1cccc(N)c1NC1CCC(O)CC1
InChIInChI=1S/C13H20N2O/c1-9-3-2-4-12(14)13(9)15-10-5-7-11(16)8-6-10/h2-4,10-11,15-16H,5-8,14H2,1H3
InChIKeyXXDGFKNISZLVGH-UHFFFAOYSA-N
XLogP2.29
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_D(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(2-amino-6-methylanilino)cyclobutan-1-ol
CID 115550663
2-N-cyclooctyl-3-methylbenzene-1,2-diamine
CID 115549944
3-methyl-2-N-(4-propylcyclohexyl)benzene-1,2-diamine
CID 115550273
3-methyl-2-N-(1-methylazetidin-3-yl)benzene-1,2-diamine
CID 130631034
3-methyl-2-N-(2-methylcyclopentyl)benzene-1,2-diamine
CID 115550519
2-[(2-amino-6-methylanilino)methyl]cyclohexan-1-ol
CID 115550610
2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-methylbenzene-1,2-diamine
CID 113333804
4-(4-bromo-2,6-dimethylanilino)cyclohexan-1-ol
CID 106594315
2-N-(2,4-dimethylcyclohexyl)-3-methylbenzene-1,2-diamine
CID 113333774
2-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbenzene-1,2-diamine
CID 115550589
2-N-cyclopropyl-3-methylsulfonylbenzene-1,2-diamine
CID 58459167
2-N-(2-ethylcyclohexyl)-3-methylbenzene-1,2-diamine
CID 115550239

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-6-methylanilino)cyclohexan-1-ol?
The IUPAC name of 4-(2-amino-6-methylanilino)cyclohexan-1-ol (CID 104966691) is 4-(2-amino-6-methylanilino)cyclohexan-1-ol.
What is the SMILES notation for 4-(2-amino-6-methylanilino)cyclohexan-1-ol?
The canonical SMILES for 4-(2-amino-6-methylanilino)cyclohexan-1-ol is Cc1cccc(N)c1NC1CCC(O)CC1.
What is the InChIKey of 4-(2-amino-6-methylanilino)cyclohexan-1-ol?
The InChIKey is XXDGFKNISZLVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9-3-2-4-12(14)13(9)15-10-5-7-11(16)8-6-10/h2-4,10-11,15-16H,5-8,14H2,1H3.
What are the key properties of 4-(2-amino-6-methylanilino)cyclohexan-1-ol?
4-(2-amino-6-methylanilino)cyclohexan-1-ol has a molecular weight of 220.32 g/mol, XLogP of 2.29, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-6-methylanilino)cyclohexan-1-ol is sourced from PubChem (CID 104966691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).