2-[(3-fluoro-4-hydroxyphenyl)methylamino]-N,N-dimethylpropanamide

C12H17FN2O2 — CID 107685376

IUPAC2-[(3-fluoro-4-hydroxyphenyl)methylamino]-N,N-dimethylpropanamide
SMILESCC(NCc1ccc(O)c(F)c1)C(=O)N(C)C
InChIInChI=1S/C12H17FN2O2/c1-8(12(17)15(2)3)14-7-9-4-5-11(16)10(13)6-9/h4-6,8,14,16H,7H2,1-3H3
InChIKeyJAODLVLODOSDAF-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.10
Rot. Bonds4

About 2-[(3-fluoro-4-hydroxyphenyl)methylamino]-N,N-dimethylpropanamide

2-[(3-fluoro-4-hydroxyphenyl)methylamino]-N,N-dimethylpropanamide (PubChem CID 107685376) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-[(3-fluoro-4-hydroxyphenyl)methylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[(3-fluoro-4-hydroxyphenyl)methylamino]-N,N-dimethylpropanamide
PubChem CID107685376
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name2-[(3-fluoro-4-hydroxyphenyl)methylamino]-N,N-dimethylpropanamide
SMILESCC(NCc1ccc(O)c(F)c1)C(=O)N(C)C
InChIInChI=1S/C12H17FN2O2/c1-8(12(17)15(2)3)14-7-9-4-5-11(16)10(13)6-9/h4-6,8,14,16H,7H2,1-3H3
InChIKeyJAODLVLODOSDAF-UHFFFAOYSA-N
XLogP1.10
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

2-[(3-fluoro-4-hydroxyphenyl)methylamino]-N-propan-2-ylpropanamide
CID 107685981
2-[(4-hydroxy-3-methoxyphenyl)methylamino]-N,N-dimethylpropanamide
CID 43573898
N,N-dimethyl-2-[(2,4,5-trifluorophenyl)methylamino]propanamide
CID 103792586
2-[(3,5-dimethylphenyl)methylamino]-N,N-dimethylpropanamide
CID 54983664
2-[(4-methoxy-3-methylphenyl)methylamino]-N,N-dimethylpropanamide
CID 43778166
2-[(4-cyclopropylphenyl)methylamino]-N,N-dimethylpropanamide
CID 79979065
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylamino)-N,N-dimethylpropanamide
CID 60871279
(2S)-2-[(3,4-difluorophenyl)methylamino]propanoic acid
CID 83195012
4-[(1-cyclopropylethylamino)methyl]-2-fluorophenol
CID 115677224
4-[[2-(dimethylamino)propylamino]methyl]-2-fluorophenol
CID 107685688
2-fluoro-4-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]phenol
CID 96934858
2-fluoro-4-[(hexan-2-ylamino)methyl]phenol
CID 115722402

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-hydroxyphenyl)methylamino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[(3-fluoro-4-hydroxyphenyl)methylamino]-N,N-dimethylpropanamide (CID 107685376) is 2-[(3-fluoro-4-hydroxyphenyl)methylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[(3-fluoro-4-hydroxyphenyl)methylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[(3-fluoro-4-hydroxyphenyl)methylamino]-N,N-dimethylpropanamide is CC(NCc1ccc(O)c(F)c1)C(=O)N(C)C.
What is the InChIKey of 2-[(3-fluoro-4-hydroxyphenyl)methylamino]-N,N-dimethylpropanamide?
The InChIKey is JAODLVLODOSDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-8(12(17)15(2)3)14-7-9-4-5-11(16)10(13)6-9/h4-6,8,14,16H,7H2,1-3H3.
What are the key properties of 2-[(3-fluoro-4-hydroxyphenyl)methylamino]-N,N-dimethylpropanamide?
2-[(3-fluoro-4-hydroxyphenyl)methylamino]-N,N-dimethylpropanamide has a molecular weight of 240.28 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-hydroxyphenyl)methylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 107685376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).