(2R)-2-[(5-fluoro-2-methylphenyl)methylamino]-N-methylpropanamide

C12H17FN2O — CID 103944137

IUPAC(2R)-2-[(5-fluoro-2-methylphenyl)methylamino]-N-methylpropanamide
SMILESCNC(=O)[C@@H](C)NCc1cc(F)ccc1C
InChIInChI=1S/C12H17FN2O/c1-8-4-5-11(13)6-10(8)7-15-9(2)12(16)14-3/h4-6,9,15H,7H2,1-3H3,(H,14,16)/t9-/m1/s1
InChIKeyXMZDLXHTGDOJSZ-SECBINFHSA-N
MW224.28 g/mol
LogP1.36
Rot. Bonds4

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

(2R)-2-[(5-fluoro-2-methylphenyl)methylamino]-N-methylpropanamide (PubChem CID 103944137) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is (2R)-2-[(5-fluoro-2-methylphenyl)methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(5-fluoro-2-methylphenyl)methylamino]-N-methylpropanamide
PubChem CID103944137
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name(2R)-2-[(5-fluoro-2-methylphenyl)methylamino]-N-methylpropanamide
SMILESCNC(=O)[C@@H](C)NCc1cc(F)ccc1C
InChIInChI=1S/C12H17FN2O/c1-8-4-5-11(13)6-10(8)7-15-9(2)12(16)14-3/h4-6,9,15H,7H2,1-3H3,(H,14,16)/t9-/m1/s1
InChIKeyXMZDLXHTGDOJSZ-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

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Related Compounds

2-[(2,5-difluorophenyl)methylamino]-N-methylpropanamide
CID 61057988
2-[(2-chloro-5-fluorophenyl)methylamino]-N-methylpropanamide
CID 102615565
2-[(2,4-difluorophenyl)methylamino]-N-methylpropanamide
CID 61057403
N-cyclopropyl-2-[(5-fluoro-2-methylphenyl)methylamino]propanamide
CID 105371388
N-ethyl-2-[(5-fluoro-2-methylphenyl)methylamino]-N-methylpropanamide
CID 103108692
(2R)-2-[(3-fluorophenyl)methylamino]-N-methylpropanamide
CID 28970574
1-(5-fluoro-2-methylphenyl)-3-(methylamino)butan-2-one
CID 105376561
(2R)-2-[(4-fluoro-3-methylphenyl)methylamino]-N-methylpropanamide
CID 94332389
(2R)-2-[(4-chloro-2-methylphenyl)methylamino]-N-methylpropanamide
CID 91660689
(2R)-2-[(2-hydroxy-3-methylphenyl)methylamino]-N-methylpropanamide
CID 103923547
1-cyclopropyl-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 115967889
2-[(2,5-dimethylphenyl)methylamino]-N-propan-2-ylpropanamide
CID 113406667

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-fluoro-2-methylphenyl)methylamino]-N-methylpropanamide?
The IUPAC name of (2R)-2-[(5-fluoro-2-methylphenyl)methylamino]-N-methylpropanamide (CID 103944137) is (2R)-2-[(5-fluoro-2-methylphenyl)methylamino]-N-methylpropanamide.
What is the SMILES notation for (2R)-2-[(5-fluoro-2-methylphenyl)methylamino]-N-methylpropanamide?
The canonical SMILES for (2R)-2-[(5-fluoro-2-methylphenyl)methylamino]-N-methylpropanamide is CNC(=O)[C@@H](C)NCc1cc(F)ccc1C.
What is the InChIKey of (2R)-2-[(5-fluoro-2-methylphenyl)methylamino]-N-methylpropanamide?
The InChIKey is XMZDLXHTGDOJSZ-SECBINFHSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-8-4-5-11(13)6-10(8)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-[(5-fluoro-2-methylphenyl)methylamino]-N-methylpropanamide?
(2R)-2-[(5-fluoro-2-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-[(5-fluoro-2-methylphenyl)methylamino]-N-methylpropanamide is sourced from PubChem (CID 103944137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).