(2R)-2-[(4-fluoro-3-methylphenyl)methylamino]-N-methylpropanamide

C12H17FN2O — CID 94332389

IUPAC(2R)-2-[(4-fluoro-3-methylphenyl)methylamino]-N-methylpropanamide
SMILESCNC(=O)[C@@H](C)NCc1ccc(F)c(C)c1
InChIInChI=1S/C12H17FN2O/c1-8-6-10(4-5-11(8)13)7-15-9(2)12(16)14-3/h4-6,9,15H,7H2,1-3H3,(H,14,16)/t9-/m1/s1
InChIKeyNCTKOPFRBBSETQ-SECBINFHSA-N
MW224.28 g/mol
LogP1.36
Rot. Bonds4

About (2R)-2-[(4-fluoro-3-methylphenyl)methylamino]-N-methylpropanamide

(2R)-2-[(4-fluoro-3-methylphenyl)methylamino]-N-methylpropanamide (PubChem CID 94332389) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is (2R)-2-[(4-fluoro-3-methylphenyl)methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(4-fluoro-3-methylphenyl)methylamino]-N-methylpropanamide
PubChem CID94332389
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name(2R)-2-[(4-fluoro-3-methylphenyl)methylamino]-N-methylpropanamide
SMILESCNC(=O)[C@@H](C)NCc1ccc(F)c(C)c1
InChIInChI=1S/C12H17FN2O/c1-8-6-10(4-5-11(8)13)7-15-9(2)12(16)14-3/h4-6,9,15H,7H2,1-3H3,(H,14,16)/t9-/m1/s1
InChIKeyNCTKOPFRBBSETQ-SECBINFHSA-N
XLogP1.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-2-[(4-fluoro-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-[(3,4-difluorophenyl)methylamino]-N-methylpropanamide
CID 61057983
2-[(4-bromo-3-fluorophenyl)methylamino]-N-methylpropanamide
CID 81002150
methyl 2-fluoro-4-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]benzoate
CID 106699905
(2R)-2-[(3-fluorophenyl)methylamino]-N-methylpropanamide
CID 28970574
2-[(4-fluoro-3-methylphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 112683720
2-[(3-fluoro-4-methylphenyl)methylamino]-N-propan-2-ylpropanamide
CID 112683661
(2R)-N-methyl-2-[(3-methylphenyl)methylamino]propanamide
CID 93383408
2-[(3-iodophenyl)methylamino]-N-methylpropanamide
CID 20823789
2-[(2,5-difluorophenyl)methylamino]-N-methylpropanamide
CID 61057988
2-[(3-fluoro-4-methylphenyl)methylamino]-N-propylpropanamide
CID 60702818
2-[(3,4-dimethoxyphenyl)methylamino]-N-methylpropanamide
CID 43400841
(2R)-2-[(5-fluoro-2-methylphenyl)methylamino]-N-methylpropanamide
CID 103944137

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-fluoro-3-methylphenyl)methylamino]-N-methylpropanamide?
The IUPAC name of (2R)-2-[(4-fluoro-3-methylphenyl)methylamino]-N-methylpropanamide (CID 94332389) is (2R)-2-[(4-fluoro-3-methylphenyl)methylamino]-N-methylpropanamide.
What is the SMILES notation for (2R)-2-[(4-fluoro-3-methylphenyl)methylamino]-N-methylpropanamide?
The canonical SMILES for (2R)-2-[(4-fluoro-3-methylphenyl)methylamino]-N-methylpropanamide is CNC(=O)[C@@H](C)NCc1ccc(F)c(C)c1.
What is the InChIKey of (2R)-2-[(4-fluoro-3-methylphenyl)methylamino]-N-methylpropanamide?
The InChIKey is NCTKOPFRBBSETQ-SECBINFHSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-8-6-10(4-5-11(8)13)7-15-9(2)12(16)14-3/h4-6,9,15H,7H2,1-3H3,(H,14,16)/t9-/m1/s1.
What are the key properties of (2R)-2-[(4-fluoro-3-methylphenyl)methylamino]-N-methylpropanamide?
(2R)-2-[(4-fluoro-3-methylphenyl)methylamino]-N-methylpropanamide has a molecular weight of 224.28 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-fluoro-3-methylphenyl)methylamino]-N-methylpropanamide is sourced from PubChem (CID 94332389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).