3-[(3-fluoro-5-hydroxyphenyl)methyl-methylamino]-N-methylpropanamide

C12H17FN2O2 — CID 104881358

IUPAC3-[(3-fluoro-5-hydroxyphenyl)methyl-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)Cc1cc(O)cc(F)c1
InChIInChI=1S/C12H17FN2O2/c1-14-12(17)3-4-15(2)8-9-5-10(13)7-11(16)6-9/h5-7,16H,3-4,8H2,1-2H3,(H,14,17)
InChIKeyHJVANGGYMRXPDW-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.10
Rot. Bonds5

About 3-[(3-fluoro-5-hydroxyphenyl)methyl-methylamino]-N-methylpropanamide

3-[(3-fluoro-5-hydroxyphenyl)methyl-methylamino]-N-methylpropanamide (PubChem CID 104881358) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 3-[(3-fluoro-5-hydroxyphenyl)methyl-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(3-fluoro-5-hydroxyphenyl)methyl-methylamino]-N-methylpropanamide
PubChem CID104881358
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name3-[(3-fluoro-5-hydroxyphenyl)methyl-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)Cc1cc(O)cc(F)c1
InChIInChI=1S/C12H17FN2O2/c1-14-12(17)3-4-15(2)8-9-5-10(13)7-11(16)6-9/h5-7,16H,3-4,8H2,1-2H3,(H,14,17)
InChIKeyHJVANGGYMRXPDW-UHFFFAOYSA-N
XLogP1.10
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl-[(3,4,5-trifluorophenyl)methyl]amino]propanoic acid
CID 65063268
3-[(4-hydroxy-3-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
CID 103737026
3-[(3-aminophenyl)methyl-methylamino]-N-methylpropanamide
CID 62325164
2-(3,5-dihydroxyphenyl)-N-methylacetamide
CID 90280420
3-[2-aminoethyl(methyl)amino]-N-methylpropanamide
CID 58105370
3-[4-(aminomethyl)-2,6-difluoro-N-methylanilino]-N-methylpropanamide
CID 106914423
3-[[2,2-difluoro-2-(4-fluorophenyl)ethyl]-methylamino]-N-methylpropanamide
CID 136560720
3-[1-(2-fluoro-4-hydroxyphenyl)ethyl-methylamino]-N-methylpropanamide
CID 107721203
4-fluoro-N,2-dimethyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 103820438
4-[(3-bromo-5-fluorophenyl)methyl-methylamino]butanoic acid
CID 79701722
4-[(3-chloro-5-fluorophenyl)methyl-methylamino]butanoic acid
CID 114454951
(E)-3-[3-fluoro-5-[methyl-[3-(methylamino)-3-oxopropyl]amino]phenyl]prop-2-enoic acid
CID 106916906

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-5-hydroxyphenyl)methyl-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[(3-fluoro-5-hydroxyphenyl)methyl-methylamino]-N-methylpropanamide (CID 104881358) is 3-[(3-fluoro-5-hydroxyphenyl)methyl-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[(3-fluoro-5-hydroxyphenyl)methyl-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[(3-fluoro-5-hydroxyphenyl)methyl-methylamino]-N-methylpropanamide is CNC(=O)CCN(C)Cc1cc(O)cc(F)c1.
What is the InChIKey of 3-[(3-fluoro-5-hydroxyphenyl)methyl-methylamino]-N-methylpropanamide?
The InChIKey is HJVANGGYMRXPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-14-12(17)3-4-15(2)8-9-5-10(13)7-11(16)6-9/h5-7,16H,3-4,8H2,1-2H3,(H,14,17).
What are the key properties of 3-[(3-fluoro-5-hydroxyphenyl)methyl-methylamino]-N-methylpropanamide?
3-[(3-fluoro-5-hydroxyphenyl)methyl-methylamino]-N-methylpropanamide has a molecular weight of 240.28 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoro-5-hydroxyphenyl)methyl-methylamino]-N-methylpropanamide is sourced from PubChem (CID 104881358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).