3-[1-(2-fluoro-4-hydroxyphenyl)ethyl-methylamino]-N-methylpropanamide

C13H19FN2O2 — CID 107721203

IUPAC3-[1-(2-fluoro-4-hydroxyphenyl)ethyl-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)C(C)c1ccc(O)cc1F
InChIInChI=1S/C13H19FN2O2/c1-9(16(3)7-6-13(18)15-2)11-5-4-10(17)8-12(11)14/h4-5,8-9,17H,6-7H2,1-3H3,(H,15,18)
InChIKeyKROWKVYWTDFHLK-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.66
Rot. Bonds5

About 3-[1-(2-fluoro-4-hydroxyphenyl)ethyl-methylamino]-N-methylpropanamide

3-[1-(2-fluoro-4-hydroxyphenyl)ethyl-methylamino]-N-methylpropanamide (PubChem CID 107721203) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 3-[1-(2-fluoro-4-hydroxyphenyl)ethyl-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[1-(2-fluoro-4-hydroxyphenyl)ethyl-methylamino]-N-methylpropanamide
PubChem CID107721203
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name3-[1-(2-fluoro-4-hydroxyphenyl)ethyl-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)C(C)c1ccc(O)cc1F
InChIInChI=1S/C13H19FN2O2/c1-9(16(3)7-6-13(18)15-2)11-5-4-10(17)8-12(11)14/h4-5,8-9,17H,6-7H2,1-3H3,(H,15,18)
InChIKeyKROWKVYWTDFHLK-UHFFFAOYSA-N
XLogP1.66
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-[1-[methyl(propyl)amino]ethyl]phenol
CID 107720983
3-[1-(1-hydroxynaphthalen-2-yl)ethyl-methylamino]-N-methylpropanamide
CID 105400787
2-[1-(2-fluoro-4-hydroxyphenyl)ethyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 107721043
3-fluoro-4-[1-[methyl-[4-(methylamino)cyclohexyl]amino]ethyl]phenol
CID 107720804
N-(2-amino-4-fluorophenyl)-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]propanamide
CID 106914617
1-(dimethylamino)-1-(2-fluoro-4-hydroxyphenyl)propan-2-one
CID 68648695
3-[(3-fluoro-5-hydroxyphenyl)methyl-methylamino]-N-methylpropanamide
CID 104881358
3-[methyl-[3-(methylamino)-3-oxopropyl]amino]butanoic acid
CID 106916227
hydrazinyl 3-[1-(2-fluorophenyl)ethyl-methylamino]propanoate
CID 66338215
3-[1-[4-(2-methoxyphenyl)phenyl]ethyl-methylamino]-N-methylpropanamide
CID 71999792
2-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]-N-(2-methylpropyl)acetamide
CID 107715392
3-fluoro-4-[1-[methyl-(2-methylcyclohexyl)amino]ethyl]phenol
CID 107721055

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-fluoro-4-hydroxyphenyl)ethyl-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[1-(2-fluoro-4-hydroxyphenyl)ethyl-methylamino]-N-methylpropanamide (CID 107721203) is 3-[1-(2-fluoro-4-hydroxyphenyl)ethyl-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[1-(2-fluoro-4-hydroxyphenyl)ethyl-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[1-(2-fluoro-4-hydroxyphenyl)ethyl-methylamino]-N-methylpropanamide is CNC(=O)CCN(C)C(C)c1ccc(O)cc1F.
What is the InChIKey of 3-[1-(2-fluoro-4-hydroxyphenyl)ethyl-methylamino]-N-methylpropanamide?
The InChIKey is KROWKVYWTDFHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-9(16(3)7-6-13(18)15-2)11-5-4-10(17)8-12(11)14/h4-5,8-9,17H,6-7H2,1-3H3,(H,15,18).
What are the key properties of 3-[1-(2-fluoro-4-hydroxyphenyl)ethyl-methylamino]-N-methylpropanamide?
3-[1-(2-fluoro-4-hydroxyphenyl)ethyl-methylamino]-N-methylpropanamide has a molecular weight of 254.30 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-fluoro-4-hydroxyphenyl)ethyl-methylamino]-N-methylpropanamide is sourced from PubChem (CID 107721203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).