3-[(3-fluoro-4-methylphenyl)methylamino]-N,2,2-trimethylpropanamide

C14H21FN2O — CID 103824288

IUPAC3-[(3-fluoro-4-methylphenyl)methylamino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNCc1ccc(C)c(F)c1
InChIInChI=1S/C14H21FN2O/c1-10-5-6-11(7-12(10)15)8-17-9-14(2,3)13(18)16-4/h5-7,17H,8-9H2,1-4H3,(H,16,18)
InChIKeyFLCCYCYLYVQFES-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.00
Rot. Bonds5

About 3-[(3-fluoro-4-methylphenyl)methylamino]-N,2,2-trimethylpropanamide

3-[(3-fluoro-4-methylphenyl)methylamino]-N,2,2-trimethylpropanamide (PubChem CID 103824288) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 3-[(3-fluoro-4-methylphenyl)methylamino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[(3-fluoro-4-methylphenyl)methylamino]-N,2,2-trimethylpropanamide
PubChem CID103824288
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name3-[(3-fluoro-4-methylphenyl)methylamino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNCc1ccc(C)c(F)c1
InChIInChI=1S/C14H21FN2O/c1-10-5-6-11(7-12(10)15)8-17-9-14(2,3)13(18)16-4/h5-7,17H,8-9H2,1-4H3,(H,16,18)
InChIKeyFLCCYCYLYVQFES-UHFFFAOYSA-N
XLogP2.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3,4-difluorophenyl)methylamino]-N,2,2-trimethylpropanamide
CID 103824416
3-(1,3-benzodioxol-5-ylmethylamino)-N,2,2-trimethylpropanamide
CID 106275482
5-[(3-fluoro-4-methylphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897533
3-[(3-bromo-4-methoxyphenyl)methylamino]-N,2,2-trimethylpropanamide
CID 103824276
ethyl 2-[(3-fluoro-4-methylphenyl)methylamino]acetate
CID 60721361
3-[(2,4-dimethylphenyl)methylamino]-N,2,2-trimethylpropanamide
CID 113278332
3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-N,2,2-trimethylpropanamide
CID 103824330
2-[2-[(3-fluoro-4-methylphenyl)methylamino]ethoxy]ethanol
CID 63646363
N-[(3-fluoro-4-methylphenyl)methyl]-2-(methylamino)acetamide
CID 43388450
N'-tert-butyl-N-[(3-fluoro-4-methylphenyl)methyl]propane-1,3-diamine
CID 113410417
2-amino-2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]butanamide
CID 79809845
3,5-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 55245178

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-4-methylphenyl)methylamino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[(3-fluoro-4-methylphenyl)methylamino]-N,2,2-trimethylpropanamide (CID 103824288) is 3-[(3-fluoro-4-methylphenyl)methylamino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[(3-fluoro-4-methylphenyl)methylamino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[(3-fluoro-4-methylphenyl)methylamino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNCc1ccc(C)c(F)c1.
What is the InChIKey of 3-[(3-fluoro-4-methylphenyl)methylamino]-N,2,2-trimethylpropanamide?
The InChIKey is FLCCYCYLYVQFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-10-5-6-11(7-12(10)15)8-17-9-14(2,3)13(18)16-4/h5-7,17H,8-9H2,1-4H3,(H,16,18).
What are the key properties of 3-[(3-fluoro-4-methylphenyl)methylamino]-N,2,2-trimethylpropanamide?
3-[(3-fluoro-4-methylphenyl)methylamino]-N,2,2-trimethylpropanamide has a molecular weight of 252.33 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoro-4-methylphenyl)methylamino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 103824288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).