2-[(3-fluoro-4-hydroxyphenyl)methylamino]-N-propan-2-ylpropanamide

C13H19FN2O2 — CID 107685981

IUPAC2-[(3-fluoro-4-hydroxyphenyl)methylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)NCc1ccc(O)c(F)c1
InChIInChI=1S/C13H19FN2O2/c1-8(2)16-13(18)9(3)15-7-10-4-5-12(17)11(14)6-10/h4-6,8-9,15,17H,7H2,1-3H3,(H,16,18)
InChIKeyRSDKDYRKLDGZSY-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.53
Rot. Bonds5

About 2-[(3-fluoro-4-hydroxyphenyl)methylamino]-N-propan-2-ylpropanamide

2-[(3-fluoro-4-hydroxyphenyl)methylamino]-N-propan-2-ylpropanamide (PubChem CID 107685981) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-[(3-fluoro-4-hydroxyphenyl)methylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[(3-fluoro-4-hydroxyphenyl)methylamino]-N-propan-2-ylpropanamide
PubChem CID107685981
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name2-[(3-fluoro-4-hydroxyphenyl)methylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)NCc1ccc(O)c(F)c1
InChIInChI=1S/C13H19FN2O2/c1-8(2)16-13(18)9(3)15-7-10-4-5-12(17)11(14)6-10/h4-6,8-9,15,17H,7H2,1-3H3,(H,16,18)
InChIKeyRSDKDYRKLDGZSY-UHFFFAOYSA-N
XLogP1.53
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-fluoro-4-methylphenyl)methylamino]-N-propan-2-ylpropanamide
CID 112683661
2-[(4-chloro-3-fluorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 113406683
2-[(3-fluoro-4-hydroxyphenyl)methylamino]-N,N-dimethylpropanamide
CID 107685376
2-[(4-fluorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 43084839
2-[(3,4-difluorophenyl)methylamino]-N-methylpropanamide
CID 61057983
4-[(1-cyclopropylethylamino)methyl]-2-fluorophenol
CID 115677224
4-[(1-cyclopropylpropan-2-ylamino)methyl]-2-fluorophenol
CID 115722404
2-[(4-bromo-3-fluorophenyl)methylamino]-N-methylpropanamide
CID 81002150
(2S)-2-[(3,4-difluorophenyl)methylamino]propanoic acid
CID 83195012
2-[(4-tert-butylphenyl)methylamino]-N-propan-2-ylpropanamide
CID 115750730
2-[(3-chlorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 55024294
2-fluoro-4-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]phenol
CID 96934858

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-hydroxyphenyl)methylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[(3-fluoro-4-hydroxyphenyl)methylamino]-N-propan-2-ylpropanamide (CID 107685981) is 2-[(3-fluoro-4-hydroxyphenyl)methylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[(3-fluoro-4-hydroxyphenyl)methylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[(3-fluoro-4-hydroxyphenyl)methylamino]-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)NCc1ccc(O)c(F)c1.
What is the InChIKey of 2-[(3-fluoro-4-hydroxyphenyl)methylamino]-N-propan-2-ylpropanamide?
The InChIKey is RSDKDYRKLDGZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-8(2)16-13(18)9(3)15-7-10-4-5-12(17)11(14)6-10/h4-6,8-9,15,17H,7H2,1-3H3,(H,16,18).
What are the key properties of 2-[(3-fluoro-4-hydroxyphenyl)methylamino]-N-propan-2-ylpropanamide?
2-[(3-fluoro-4-hydroxyphenyl)methylamino]-N-propan-2-ylpropanamide has a molecular weight of 254.30 g/mol, XLogP of 1.53, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-hydroxyphenyl)methylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 107685981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).