2-(5-amino-2-methylanilino)cyclohexan-1-ol

C13H20N2O — CID 62590729

IUPAC2-(5-amino-2-methylanilino)cyclohexan-1-ol
SMILESCc1ccc(N)cc1NC1CCCCC1O
InChIInChI=1S/C13H20N2O/c1-9-6-7-10(14)8-12(9)15-11-4-2-3-5-13(11)16/h6-8,11,13,15-16H,2-5,14H2,1H3
InChIKeyDBWDCQWHLKYTAJ-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.29
Rot. Bonds2

About 2-(5-amino-2-methylanilino)cyclohexan-1-ol

2-(5-amino-2-methylanilino)cyclohexan-1-ol (PubChem CID 62590729) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-(5-amino-2-methylanilino)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(5-amino-2-methylanilino)cyclohexan-1-ol
PubChem CID62590729
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-(5-amino-2-methylanilino)cyclohexan-1-ol
SMILESCc1ccc(N)cc1NC1CCCCC1O
InChIInChI=1S/C13H20N2O/c1-9-6-7-10(14)8-12(9)15-11-4-2-3-5-13(11)16/h6-8,11,13,15-16H,2-5,14H2,1H3
InChIKeyDBWDCQWHLKYTAJ-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(1S,2R)-1-(3-fluorophenyl)-1-(methyl(phenyl)amino)-3-(methylamino)propan-2-ol
CID 24764464
(R,S/S,R)-syn-1-(methyl(phenyl)amino)-3-(methylamino)-1-phenylpropan-2-ol
CID 24897268
(1S,2R)-1-(methyl(o-tolyl)amino)-3-(methylamino)-1-phenylpropan-2-ol
CID 24897269
(R,S/S,R)-syn-1-(methyl(m-tolyl)amino)-3-(methylamino)-1-phenylpropan-2-ol
CID 24897270
(R,S/S,R)-syn-1-(methyl(p-tolyl)amino)-3-(methylamino)-1-phenylpropan-2-ol
CID 24897482
(R,S/S,R)-syn-1-((4-fluorophenyl)(methyl)amino)-3-(methylamino)-1-phenylpropan-2-ol
CID 44574739
(R,S/S,R)-syn-3-amino-1-(3-fluorophenyl)-1-(methyl(phenyl)amino)propan-2-ol
CID 44574883
1-(4-Methylanilino)propan-2-ol
CID 18674580
2,6-Dihydroxyethylaminotoluene
CID 10130524
N-(2-methoxycyclohexyl)-2,5-dimethylaniline
CID 2850171
2-(4-o-Tolyl-piperazin-1-yl)-cyclohexanol
CID 15925813
2-[4-(4-Methylamino-phenyl)-piperidin-1-yl]-cyclohexanol
CID 15925826

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-methylanilino)cyclohexan-1-ol?
The IUPAC name of 2-(5-amino-2-methylanilino)cyclohexan-1-ol (CID 62590729) is 2-(5-amino-2-methylanilino)cyclohexan-1-ol.
What is the SMILES notation for 2-(5-amino-2-methylanilino)cyclohexan-1-ol?
The canonical SMILES for 2-(5-amino-2-methylanilino)cyclohexan-1-ol is Cc1ccc(N)cc1NC1CCCCC1O.
What is the InChIKey of 2-(5-amino-2-methylanilino)cyclohexan-1-ol?
The InChIKey is DBWDCQWHLKYTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9-6-7-10(14)8-12(9)15-11-4-2-3-5-13(11)16/h6-8,11,13,15-16H,2-5,14H2,1H3.
What are the key properties of 2-(5-amino-2-methylanilino)cyclohexan-1-ol?
2-(5-amino-2-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 2-(5-amino-2-methylanilino)cyclohexan-1-ol is sourced from PubChem (CID 62590729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).