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

C14H21FN2O — CID 60702818

IUPAC2-[(3-fluoro-4-methylphenyl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCc1ccc(C)c(F)c1
InChIInChI=1S/C14H21FN2O/c1-4-7-16-14(18)11(3)17-9-12-6-5-10(2)13(15)8-12/h5-6,8,11,17H,4,7,9H2,1-3H3,(H,16,18)
InChIKeyBANXQELFZBODQL-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.14
Rot. Bonds6

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

2-[(3-fluoro-4-methylphenyl)methylamino]-N-propylpropanamide (PubChem CID 60702818) 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-propylpropanamide.

Molecular Properties

Compound Name2-[(3-fluoro-4-methylphenyl)methylamino]-N-propylpropanamide
PubChem CID60702818
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name2-[(3-fluoro-4-methylphenyl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCc1ccc(C)c(F)c1
InChIInChI=1S/C14H21FN2O/c1-4-7-16-14(18)11(3)17-9-12-6-5-10(2)13(15)8-12/h5-6,8,11,17H,4,7,9H2,1-3H3,(H,16,18)
InChIKeyBANXQELFZBODQL-UHFFFAOYSA-N
XLogP2.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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-propan-2-ylpropanamide
CID 112683661
N-propyl-2-[(3,4,5-trifluorophenyl)methylamino]propanamide
CID 63050518
2-[(3-bromo-4-fluorophenyl)methylamino]-N-propylpropanamide
CID 43221804
methyl 2-[(3-fluoro-4-methylphenyl)methylamino]propanoate
CID 63646729
2-[(4-iodophenyl)methylamino]-N-propylpropanamide
CID 65477779
N-propyl-2-[(2,4,6-trimethylphenyl)methylamino]propanamide
CID 43221777
2-[(3-fluoro-4-methylphenyl)methylamino]pentanoic acid
CID 65055420
3-fluoro-4-methyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 41089115
2-[(4-acetamidophenyl)methylamino]-N-propylpropanamide
CID 43224047
(2R)-2-[(4-fluoro-3-methylphenyl)methylamino]-N-methylpropanamide
CID 94332389
2-[(5-fluoro-3-pyridinyl)methylamino]-N-propylpropanamide
CID 104953387
2-[(3-chloro-5-fluorophenyl)methylamino]-N-propylpropanamide
CID 114452378

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-methylphenyl)methylamino]-N-propylpropanamide?
The IUPAC name of 2-[(3-fluoro-4-methylphenyl)methylamino]-N-propylpropanamide (CID 60702818) is 2-[(3-fluoro-4-methylphenyl)methylamino]-N-propylpropanamide.
What is the SMILES notation for 2-[(3-fluoro-4-methylphenyl)methylamino]-N-propylpropanamide?
The canonical SMILES for 2-[(3-fluoro-4-methylphenyl)methylamino]-N-propylpropanamide is CCCNC(=O)C(C)NCc1ccc(C)c(F)c1.
What is the InChIKey of 2-[(3-fluoro-4-methylphenyl)methylamino]-N-propylpropanamide?
The InChIKey is BANXQELFZBODQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-4-7-16-14(18)11(3)17-9-12-6-5-10(2)13(15)8-12/h5-6,8,11,17H,4,7,9H2,1-3H3,(H,16,18).
What are the key properties of 2-[(3-fluoro-4-methylphenyl)methylamino]-N-propylpropanamide?
2-[(3-fluoro-4-methylphenyl)methylamino]-N-propylpropanamide has a molecular weight of 252.33 g/mol, XLogP of 2.14, 6 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-propylpropanamide is sourced from PubChem (CID 60702818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).