(2R)-2-[(2-hydroxy-3-methylphenyl)methylamino]-N-methylpropanamide

C12H18N2O2 — CID 103923547

IUPAC(2R)-2-[(2-hydroxy-3-methylphenyl)methylamino]-N-methylpropanamide
SMILESCNC(=O)[C@@H](C)NCc1cccc(C)c1O
InChIInChI=1S/C12H18N2O2/c1-8-5-4-6-10(11(8)15)7-14-9(2)12(16)13-3/h4-6,9,14-15H,7H2,1-3H3,(H,13,16)/t9-/m1/s1
InChIKeyAVGLYELJLXIHPL-SECBINFHSA-N
MW222.29 g/mol
LogP0.92
Rot. Bonds4

About (2R)-2-[(2-hydroxy-3-methylphenyl)methylamino]-N-methylpropanamide

(2R)-2-[(2-hydroxy-3-methylphenyl)methylamino]-N-methylpropanamide (PubChem CID 103923547) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (2R)-2-[(2-hydroxy-3-methylphenyl)methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(2-hydroxy-3-methylphenyl)methylamino]-N-methylpropanamide
PubChem CID103923547
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(2R)-2-[(2-hydroxy-3-methylphenyl)methylamino]-N-methylpropanamide
SMILESCNC(=O)[C@@H](C)NCc1cccc(C)c1O
InChIInChI=1S/C12H18N2O2/c1-8-5-4-6-10(11(8)15)7-14-9(2)12(16)13-3/h4-6,9,14-15H,7H2,1-3H3,(H,13,16)/t9-/m1/s1
InChIKeyAVGLYELJLXIHPL-SECBINFHSA-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 (2R)-2-[(2-hydroxy-3-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

2-[(3-ethoxy-2-hydroxyphenyl)methylamino]-N-methylpropanamide
CID 54950309
2-[(2-hydroxy-5-methylphenyl)methylamino]-N-methylpropanamide
CID 63324695
methyl 2-[(2-hydroxy-3-methylphenyl)methylamino]-4-methylpentanoate
CID 112606468
2-methyl-6-[(5-methylhexan-2-ylamino)methyl]phenol
CID 112553862
(2R)-2-[(5-fluoro-2-methylphenyl)methylamino]-N-methylpropanamide
CID 103944137
(2R)-2-[(4-chloro-2-methylphenyl)methylamino]-N-methylpropanamide
CID 91660689
2-[(3-chloro-2-fluorophenyl)methylamino]-N-methylpropanamide
CID 115695872
N-methyl-2-[(2-methyl-3-nitrophenyl)methylamino]propanamide
CID 54950720
(2R)-2-[(2,3-dihydroxyphenyl)methylamino]propanoic acid
CID 94213234
(2R)-N-methyl-2-[(3-methylphenyl)methylamino]propanamide
CID 93383408
2-methyl-6-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]phenol
CID 115904447
methyl 2-[2-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]phenyl]acetate
CID 115461745

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-hydroxy-3-methylphenyl)methylamino]-N-methylpropanamide?
The IUPAC name of (2R)-2-[(2-hydroxy-3-methylphenyl)methylamino]-N-methylpropanamide (CID 103923547) is (2R)-2-[(2-hydroxy-3-methylphenyl)methylamino]-N-methylpropanamide.
What is the SMILES notation for (2R)-2-[(2-hydroxy-3-methylphenyl)methylamino]-N-methylpropanamide?
The canonical SMILES for (2R)-2-[(2-hydroxy-3-methylphenyl)methylamino]-N-methylpropanamide is CNC(=O)[C@@H](C)NCc1cccc(C)c1O.
What is the InChIKey of (2R)-2-[(2-hydroxy-3-methylphenyl)methylamino]-N-methylpropanamide?
The InChIKey is AVGLYELJLXIHPL-SECBINFHSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8-5-4-6-10(11(8)15)7-14-9(2)12(16)13-3/h4-6,9,14-15H,7H2,1-3H3,(H,13,16)/t9-/m1/s1.
What are the key properties of (2R)-2-[(2-hydroxy-3-methylphenyl)methylamino]-N-methylpropanamide?
(2R)-2-[(2-hydroxy-3-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 (2R)-2-[(2-hydroxy-3-methylphenyl)methylamino]-N-methylpropanamide is sourced from PubChem (CID 103923547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).