2-[(3-fluoro-4-methylphenyl)methylamino]-N-propan-2-ylpropanamide

C14H21FN2O — CID 112683661

IUPAC2-[(3-fluoro-4-methylphenyl)methylamino]-N-propan-2-ylpropanamide
SMILESCc1ccc(CNC(C)C(=O)NC(C)C)cc1F
InChIInChI=1S/C14H21FN2O/c1-9(2)17-14(18)11(4)16-8-12-6-5-10(3)13(15)7-12/h5-7,9,11,16H,8H2,1-4H3,(H,17,18)
InChIKeyXUSKFXBHBWJAAU-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.14
Rot. Bonds5

About 2-[(3-fluoro-4-methylphenyl)methylamino]-N-propan-2-ylpropanamide

2-[(3-fluoro-4-methylphenyl)methylamino]-N-propan-2-ylpropanamide (PubChem CID 112683661) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-[(3-fluoro-4-methylphenyl)methylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[(3-fluoro-4-methylphenyl)methylamino]-N-propan-2-ylpropanamide
PubChem CID112683661
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name2-[(3-fluoro-4-methylphenyl)methylamino]-N-propan-2-ylpropanamide
SMILESCc1ccc(CNC(C)C(=O)NC(C)C)cc1F
InChIInChI=1S/C14H21FN2O/c1-9(2)17-14(18)11(4)16-8-12-6-5-10(3)13(15)7-12/h5-7,9,11,16H,8H2,1-4H3,(H,17,18)
InChIKeyXUSKFXBHBWJAAU-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-fluoro-4-methylphenyl)methylamino]-N-propylpropanamide
CID 60702818
2-[(3-fluoro-4-hydroxyphenyl)methylamino]-N-propan-2-ylpropanamide
CID 107685981
2-[(4-chloro-3-fluorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 113406683
methyl 2-[(3-fluoro-4-methylphenyl)methylamino]propanoate
CID 63646729
2-[(4-fluorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 43084839
(2R)-2-[(4-fluoro-3-methylphenyl)methylamino]-N-methylpropanamide
CID 94332389
2-[(3-fluoro-4-methylphenyl)methylcarbamoylamino]-N-propan-2-ylacetamide
CID 17417817
2-[(3,4-difluorophenyl)methylamino]-N-methylpropanamide
CID 61057983
2-[(3-fluoro-4-methylphenyl)methylamino]-N,4-dimethylpentanamide
CID 55245761
2-[(2,5-dimethylphenyl)methylamino]-N-propan-2-ylpropanamide
CID 113406667
(3R)-3-[(3-fluoro-4-methylphenyl)methylamino]butan-1-ol
CID 103854790
(1R)-1-cycloheptyl-N-[(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 81391098

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-methylphenyl)methylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[(3-fluoro-4-methylphenyl)methylamino]-N-propan-2-ylpropanamide (CID 112683661) is 2-[(3-fluoro-4-methylphenyl)methylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[(3-fluoro-4-methylphenyl)methylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[(3-fluoro-4-methylphenyl)methylamino]-N-propan-2-ylpropanamide is Cc1ccc(CNC(C)C(=O)NC(C)C)cc1F.
What is the InChIKey of 2-[(3-fluoro-4-methylphenyl)methylamino]-N-propan-2-ylpropanamide?
The InChIKey is XUSKFXBHBWJAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-9(2)17-14(18)11(4)16-8-12-6-5-10(3)13(15)7-12/h5-7,9,11,16H,8H2,1-4H3,(H,17,18).
What are the key properties of 2-[(3-fluoro-4-methylphenyl)methylamino]-N-propan-2-ylpropanamide?
2-[(3-fluoro-4-methylphenyl)methylamino]-N-propan-2-ylpropanamide has a molecular weight of 252.33 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-methylphenyl)methylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 112683661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).