2-[(2-amino-6-methylanilino)methyl]cyclohexan-1-ol

C14H22N2O — CID 115550610

IUPAC2-[(2-amino-6-methylanilino)methyl]cyclohexan-1-ol
SMILESCc1cccc(N)c1NCC1CCCCC1O
InChIInChI=1S/C14H22N2O/c1-10-5-4-7-12(15)14(10)16-9-11-6-2-3-8-13(11)17/h4-5,7,11,13,16-17H,2-3,6,8-9,15H2,1H3
InChIKeyZUFJOZXWDBCIIU-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.54
Rot. Bonds3

About 2-[(2-amino-6-methylanilino)methyl]cyclohexan-1-ol

2-[(2-amino-6-methylanilino)methyl]cyclohexan-1-ol (PubChem CID 115550610) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[(2-amino-6-methylanilino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(2-amino-6-methylanilino)methyl]cyclohexan-1-ol
PubChem CID115550610
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-[(2-amino-6-methylanilino)methyl]cyclohexan-1-ol
SMILESCc1cccc(N)c1NCC1CCCCC1O
InChIInChI=1S/C14H22N2O/c1-10-5-4-7-12(15)14(10)16-9-11-6-2-3-8-13(11)17/h4-5,7,11,13,16-17H,2-3,6,8-9,15H2,1H3
InChIKeyZUFJOZXWDBCIIU-UHFFFAOYSA-N
XLogP2.54
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(2-methyl-6-nitroanilino)methyl]cyclohexan-1-ol
CID 79003012
3-amino-2-[(2-methylcyclohexyl)methylamino]benzamide
CID 112578623
2-N-(2-ethylcyclohexyl)-3-methylbenzene-1,2-diamine
CID 115550239
ethyl 3-amino-2-[(2-methylcyclohexyl)methylamino]benzoate
CID 115934645
2-N-(2-cyclohexyloxyethyl)-3-methylbenzene-1,2-diamine
CID 115550552
4-(2-amino-6-methylanilino)cyclohexan-1-ol
CID 104966691
5-[(2-amino-6-methylanilino)methyl]pyrrolidin-2-one
CID 115550587
2-[(4-aminoanilino)methyl]cyclohexan-1-ol
CID 64930000
3-(2-amino-6-methylanilino)cyclobutan-1-ol
CID 115550663
2-N-cyclooctyl-3-methylbenzene-1,2-diamine
CID 115549944
2-N-(1,4-dioxan-2-ylmethyl)-3-methylbenzene-1,2-diamine
CID 115550175
2-[[(3-aminoquinolin-4-yl)amino]methyl]cyclopentan-1-ol
CID 103963415

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-6-methylanilino)methyl]cyclohexan-1-ol?
The IUPAC name of 2-[(2-amino-6-methylanilino)methyl]cyclohexan-1-ol (CID 115550610) is 2-[(2-amino-6-methylanilino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[(2-amino-6-methylanilino)methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[(2-amino-6-methylanilino)methyl]cyclohexan-1-ol is Cc1cccc(N)c1NCC1CCCCC1O.
What is the InChIKey of 2-[(2-amino-6-methylanilino)methyl]cyclohexan-1-ol?
The InChIKey is ZUFJOZXWDBCIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10-5-4-7-12(15)14(10)16-9-11-6-2-3-8-13(11)17/h4-5,7,11,13,16-17H,2-3,6,8-9,15H2,1H3.
What are the key properties of 2-[(2-amino-6-methylanilino)methyl]cyclohexan-1-ol?
2-[(2-amino-6-methylanilino)methyl]cyclohexan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 2.54, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-6-methylanilino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 115550610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).