2-[(2-hydroxy-5-methylphenyl)methylamino]-N-methylpropanamide

C12H18N2O2 — CID 63324695

IUPAC2-[(2-hydroxy-5-methylphenyl)methylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NCc1cc(C)ccc1O
InChIInChI=1S/C12H18N2O2/c1-8-4-5-11(15)10(6-8)7-14-9(2)12(16)13-3/h4-6,9,14-15H,7H2,1-3H3,(H,13,16)
InChIKeyQDZGKRKCTVIVCO-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.92
Rot. Bonds4

About 2-[(2-hydroxy-5-methylphenyl)methylamino]-N-methylpropanamide

2-[(2-hydroxy-5-methylphenyl)methylamino]-N-methylpropanamide (PubChem CID 63324695) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[(2-hydroxy-5-methylphenyl)methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(2-hydroxy-5-methylphenyl)methylamino]-N-methylpropanamide
PubChem CID63324695
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-[(2-hydroxy-5-methylphenyl)methylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NCc1cc(C)ccc1O
InChIInChI=1S/C12H18N2O2/c1-8-4-5-11(15)10(6-8)7-14-9(2)12(16)13-3/h4-6,9,14-15H,7H2,1-3H3,(H,13,16)
InChIKeyQDZGKRKCTVIVCO-UHFFFAOYSA-N
XLogP0.92
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(2-hydroxy-5-methylphenyl)methylamino]-N-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-2-[(3-methylbutan-2-ylamino)methyl]phenol
CID 63327011
2-[[[(2S)-1-hydroxypropan-2-yl]amino]methyl]-4-methylphenol
CID 95379080
(2R)-N-methyl-2-[(3-methylphenyl)methylamino]propanamide
CID 93383408
(2R)-2-[(2-hydroxy-3-methylphenyl)methylamino]-N-methylpropanamide
CID 103923547
methyl 2-[(2-hydroxy-5-methylphenyl)methylamino]-3-methylbutanoate
CID 63327146
2-[(2,5-dimethylphenyl)methylamino]-N-propan-2-ylpropanamide
CID 113406667
(2R)-2-[(5-fluoro-2-methylphenyl)methylamino]-N-methylpropanamide
CID 103944137
(2R)-2-[(4-chloro-2-methylphenyl)methylamino]-N-methylpropanamide
CID 91660689
3-[(2-hydroxy-5-methylphenyl)methylamino]butanenitrile
CID 104586902
methyl 2-[2-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]phenyl]acetate
CID 115461745
4-methyl-2-[[1-(2-methylphenyl)propan-2-ylamino]methyl]phenol
CID 63324431
4-methyl-2-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]phenol
CID 81360761

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-5-methylphenyl)methylamino]-N-methylpropanamide?
The IUPAC name of 2-[(2-hydroxy-5-methylphenyl)methylamino]-N-methylpropanamide (CID 63324695) is 2-[(2-hydroxy-5-methylphenyl)methylamino]-N-methylpropanamide.
What is the SMILES notation for 2-[(2-hydroxy-5-methylphenyl)methylamino]-N-methylpropanamide?
The canonical SMILES for 2-[(2-hydroxy-5-methylphenyl)methylamino]-N-methylpropanamide is CNC(=O)C(C)NCc1cc(C)ccc1O.
What is the InChIKey of 2-[(2-hydroxy-5-methylphenyl)methylamino]-N-methylpropanamide?
The InChIKey is QDZGKRKCTVIVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8-4-5-11(15)10(6-8)7-14-9(2)12(16)13-3/h4-6,9,14-15H,7H2,1-3H3,(H,13,16).
What are the key properties of 2-[(2-hydroxy-5-methylphenyl)methylamino]-N-methylpropanamide?
2-[(2-hydroxy-5-methylphenyl)methylamino]-N-methylpropanamide has a molecular weight of 222.29 g/mol, XLogP of 0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-5-methylphenyl)methylamino]-N-methylpropanamide is sourced from PubChem (CID 63324695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).