5-methyl-2-[(3-methyl-3,4-dihydropyridin-2-yl)amino]phenol

C13H16N2O — CID 56973738

IUPAC5-methyl-2-[(3-methyl-3,4-dihydropyridin-2-yl)amino]phenol
SMILESCc1ccc(NC2=NC=CCC2C)c(O)c1
InChIInChI=1S/C13H16N2O/c1-9-5-6-11(12(16)8-9)15-13-10(2)4-3-7-14-13/h3,5-8,10,16H,4H2,1-2H3,(H,14,15)
InChIKeyFGFQYSHAIPDGDZ-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.06
Rot. Bonds1

About 5-methyl-2-[(3-methyl-3,4-dihydropyridin-2-yl)amino]phenol

5-methyl-2-[(3-methyl-3,4-dihydropyridin-2-yl)amino]phenol (PubChem CID 56973738) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 5-methyl-2-[(3-methyl-3,4-dihydropyridin-2-yl)amino]phenol.

Molecular Properties

Compound Name5-methyl-2-[(3-methyl-3,4-dihydropyridin-2-yl)amino]phenol
PubChem CID56973738
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name5-methyl-2-[(3-methyl-3,4-dihydropyridin-2-yl)amino]phenol
SMILESCc1ccc(NC2=NC=CCC2C)c(O)c1
InChIInChI=1S/C13H16N2O/c1-9-5-6-11(12(16)8-9)15-13-10(2)4-3-7-14-13/h3,5-8,10,16H,4H2,1-2H3,(H,14,15)
InChIKeyFGFQYSHAIPDGDZ-UHFFFAOYSA-N
XLogP3.06
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(2-hydroxy-4-methyl-anilino)-2H-1,2,4-triazin-3-one
CID 135771766
2-[(3-Benzyl-3,4-dihydropyridin-2-yl)amino]-5-(trifluoromethyl)phenol
CID 57032188
2-[(3-Methyl-3,4-dihydropyridin-2-yl)amino]-5-(trifluoromethyl)phenol
CID 57066661
2-[(3-Propyl-3,4-dihydropyridin-2-yl)amino]-5-(trifluoromethyl)phenol
CID 57232856
N-[4-[(diaminomethylideneamino)methyl]-2-hydroxyphenyl]-2-fluoroacetamide
CID 71510694
N-[4-[(1-aminoethylideneamino)methyl]-2-hydroxyphenyl]-2-fluoroacetamide
CID 117682144
N'-(2-hydroxy-4-methylphenyl)benzenecarboximidamide
CID 12720151
N'-(2-hydroxy-4-methylphenyl)ethanimidamide
CID 129938168
2-amino-5-(4,5-dihydro-1H-imidazol-3-ium-2-yl)phenol;chloride;dihydrate
CID 168353761
5-(Fluoromethyl)-2-(piperidin-4-ylmethylamino)phenol
CID 115042649
5-(Difluoromethyl)-2-(piperidin-4-ylmethylamino)phenol
CID 115047768
5-(1,1-Difluoroethyl)-2-(piperidin-4-ylmethylamino)phenol
CID 115050406

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(3-methyl-3,4-dihydropyridin-2-yl)amino]phenol?
The IUPAC name of 5-methyl-2-[(3-methyl-3,4-dihydropyridin-2-yl)amino]phenol (CID 56973738) is 5-methyl-2-[(3-methyl-3,4-dihydropyridin-2-yl)amino]phenol.
What is the SMILES notation for 5-methyl-2-[(3-methyl-3,4-dihydropyridin-2-yl)amino]phenol?
The canonical SMILES for 5-methyl-2-[(3-methyl-3,4-dihydropyridin-2-yl)amino]phenol is Cc1ccc(NC2=NC=CCC2C)c(O)c1.
What is the InChIKey of 5-methyl-2-[(3-methyl-3,4-dihydropyridin-2-yl)amino]phenol?
The InChIKey is FGFQYSHAIPDGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9-5-6-11(12(16)8-9)15-13-10(2)4-3-7-14-13/h3,5-8,10,16H,4H2,1-2H3,(H,14,15).
What are the key properties of 5-methyl-2-[(3-methyl-3,4-dihydropyridin-2-yl)amino]phenol?
5-methyl-2-[(3-methyl-3,4-dihydropyridin-2-yl)amino]phenol has a molecular weight of 216.28 g/mol, XLogP of 3.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(3-methyl-3,4-dihydropyridin-2-yl)amino]phenol is sourced from PubChem (CID 56973738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).