3-amino-N-[(4-fluoro-3-methylphenyl)methyl]-2,2-dimethylpropanamide

C13H19FN2O — CID 115154630

IUPAC3-amino-N-[(4-fluoro-3-methylphenyl)methyl]-2,2-dimethylpropanamide
SMILESCc1cc(CNC(=O)C(C)(C)CN)ccc1F
InChIInChI=1S/C13H19FN2O/c1-9-6-10(4-5-11(9)14)7-16-12(17)13(2,3)8-15/h4-6H,7-8,15H2,1-3H3,(H,16,17)
InChIKeyMMMRLBROYALXJD-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.74
Rot. Bonds4

About 3-amino-N-[(4-fluoro-3-methylphenyl)methyl]-2,2-dimethylpropanamide

3-amino-N-[(4-fluoro-3-methylphenyl)methyl]-2,2-dimethylpropanamide (PubChem CID 115154630) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 3-amino-N-[(4-fluoro-3-methylphenyl)methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-[(4-fluoro-3-methylphenyl)methyl]-2,2-dimethylpropanamide
PubChem CID115154630
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name3-amino-N-[(4-fluoro-3-methylphenyl)methyl]-2,2-dimethylpropanamide
SMILESCc1cc(CNC(=O)C(C)(C)CN)ccc1F
InChIInChI=1S/C13H19FN2O/c1-9-6-10(4-5-11(9)14)7-16-12(17)13(2,3)8-15/h4-6H,7-8,15H2,1-3H3,(H,16,17)
InChIKeyMMMRLBROYALXJD-UHFFFAOYSA-N
XLogP1.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(3-chloro-4-fluorophenyl)methyl]-2,2-dimethylpropanamide
CID 81489065
2-cyano-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpropanamide
CID 115175082
1-amino-3-[(4-fluoro-3-methylphenyl)methyl]urea
CID 115192598
2-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpropane-1,2-diamine
CID 115131868
3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2,2-dimethylpropanamide;hydrochloride
CID 119775484
N-[(4-fluoro-3-methylphenyl)methyl]-3-methylpentan-3-amine
CID 115630753
4-amino-N-[(4-fluoro-3-methylphenyl)methyl]benzamide
CID 115161009
2-amino-2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]butanamide
CID 79809845
N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxy-3-phenylbutanamide
CID 110024507
N'-[(4-fluoro-3-methylphenyl)methyl]-2,2-dimethylbutane-1,4-diamine
CID 115204862
2-amino-4-[(4-fluoro-3-methylphenyl)methylamino]-4-oxobutanoic acid
CID 115181057
2-(1-aminopropan-2-ylsulfanyl)-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
CID 66218348

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-fluoro-3-methylphenyl)methyl]-2,2-dimethylpropanamide?
The IUPAC name of 3-amino-N-[(4-fluoro-3-methylphenyl)methyl]-2,2-dimethylpropanamide (CID 115154630) is 3-amino-N-[(4-fluoro-3-methylphenyl)methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-N-[(4-fluoro-3-methylphenyl)methyl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-amino-N-[(4-fluoro-3-methylphenyl)methyl]-2,2-dimethylpropanamide is Cc1cc(CNC(=O)C(C)(C)CN)ccc1F.
What is the InChIKey of 3-amino-N-[(4-fluoro-3-methylphenyl)methyl]-2,2-dimethylpropanamide?
The InChIKey is MMMRLBROYALXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-9-6-10(4-5-11(9)14)7-16-12(17)13(2,3)8-15/h4-6H,7-8,15H2,1-3H3,(H,16,17).
What are the key properties of 3-amino-N-[(4-fluoro-3-methylphenyl)methyl]-2,2-dimethylpropanamide?
3-amino-N-[(4-fluoro-3-methylphenyl)methyl]-2,2-dimethylpropanamide has a molecular weight of 238.31 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-fluoro-3-methylphenyl)methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 115154630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).