2-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)-4,4-dimethylpentanamide

C15H23FN2O2 — CID 107471938

IUPAC2-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)-4,4-dimethylpentanamide
SMILESCOc1cc(F)ccc1NC(=O)C(CN)CC(C)(C)C
InChIInChI=1S/C15H23FN2O2/c1-15(2,3)8-10(9-17)14(19)18-12-6-5-11(16)7-13(12)20-4/h5-7,10H,8-9,17H2,1-4H3,(H,18,19)
InChIKeyMQMDJJDGHGFFLF-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.78
Rot. Bonds5

About 2-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)-4,4-dimethylpentanamide

2-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)-4,4-dimethylpentanamide (PubChem CID 107471938) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)-4,4-dimethylpentanamide
PubChem CID107471938
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name2-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)-4,4-dimethylpentanamide
SMILESCOc1cc(F)ccc1NC(=O)C(CN)CC(C)(C)C
InChIInChI=1S/C15H23FN2O2/c1-15(2,3)8-10(9-17)14(19)18-12-6-5-11(16)7-13(12)20-4/h5-7,10H,8-9,17H2,1-4H3,(H,18,19)
InChIKeyMQMDJJDGHGFFLF-UHFFFAOYSA-N
XLogP2.78
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-(2-bromo-4-fluorophenyl)-4,4-dimethylpentanamide
CID 107471101
2-(aminomethyl)-N-(2-bromo-5-fluorophenyl)-4,4-dimethylpentanamide
CID 107625734
2-(aminomethyl)-N-(5-fluoro-2-methoxyphenyl)butanamide
CID 115186809
2-(aminomethyl)-N-(5-fluoro-2-nitrophenyl)-4,4-dimethylpentanamide
CID 107472536
(2R)-2-amino-N-(4-fluoro-2-methoxyphenyl)-3-methylbutanamide
CID 79013529
(2S)-2-amino-N-(4-fluoro-2-methoxyphenyl)-4-methylsulfanylbutanamide
CID 54967553
3-(4-fluoro-2-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 114898275
2-amino-3-(4-fluoro-2-methoxyanilino)propanamide
CID 103245523
2,2,2-trifluoro-N-(4-fluoro-2-methoxyphenyl)acetamide
CID 62492319
benzyl (3S)-3-amino-4-(4-fluoro-2-methoxyanilino)-4-oxobutanoate
CID 114274759
2-(aminomethyl)-N-(4-iodo-2-methylphenyl)-4,4-dimethylpentanamide
CID 107471361
2-acetamido-N-(4-fluoro-2-methoxyphenyl)-3-sulfanylpropanamide
CID 107769305

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)-4,4-dimethylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)-4,4-dimethylpentanamide (CID 107471938) is 2-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)-4,4-dimethylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)-4,4-dimethylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)-4,4-dimethylpentanamide is COc1cc(F)ccc1NC(=O)C(CN)CC(C)(C)C.
What is the InChIKey of 2-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)-4,4-dimethylpentanamide?
The InChIKey is MQMDJJDGHGFFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-15(2,3)8-10(9-17)14(19)18-12-6-5-11(16)7-13(12)20-4/h5-7,10H,8-9,17H2,1-4H3,(H,18,19).
What are the key properties of 2-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)-4,4-dimethylpentanamide?
2-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)-4,4-dimethylpentanamide has a molecular weight of 282.36 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)-4,4-dimethylpentanamide is sourced from PubChem (CID 107471938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).