2-(cyclopropylamino)-4-(2-fluoro-3-methylphenoxy)butanamide

C14H19FN2O2 — CID 107660548

IUPAC2-(cyclopropylamino)-4-(2-fluoro-3-methylphenoxy)butanamide
SMILESCc1cccc(OCCC(NC2CC2)C(N)=O)c1F
InChIInChI=1S/C14H19FN2O2/c1-9-3-2-4-12(13(9)15)19-8-7-11(14(16)18)17-10-5-6-10/h2-4,10-11,17H,5-8H2,1H3,(H2,16,18)
InChIKeyLSQUEUBKQYFAFE-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.51
Rot. Bonds7

About 2-(cyclopropylamino)-4-(2-fluoro-3-methylphenoxy)butanamide

2-(cyclopropylamino)-4-(2-fluoro-3-methylphenoxy)butanamide (PubChem CID 107660548) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(2-fluoro-3-methylphenoxy)butanamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(2-fluoro-3-methylphenoxy)butanamide
PubChem CID107660548
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name2-(cyclopropylamino)-4-(2-fluoro-3-methylphenoxy)butanamide
SMILESCc1cccc(OCCC(NC2CC2)C(N)=O)c1F
InChIInChI=1S/C14H19FN2O2/c1-9-3-2-4-12(13(9)15)19-8-7-11(14(16)18)17-10-5-6-10/h2-4,10-11,17H,5-8H2,1H3,(H2,16,18)
InChIKeyLSQUEUBKQYFAFE-UHFFFAOYSA-N
XLogP1.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-4-(2,3-dimethylphenoxy)butanamide
CID 63039159
2-(cyclopropylamino)-4-(2,3-difluorophenoxy)butanamide
CID 63038366
2-(cyclopropylamino)-4-(3-fluorophenoxy)butanamide
CID 63039927
2-(cyclopropylamino)-4-(3,4-difluorophenoxy)butanamide
CID 63035661
methyl 2-amino-4-(2-fluoro-3-methylphenoxy)butanoate
CID 107660515
2-(cyclopropylamino)-4-(2-fluoro-6-nitrophenoxy)butanamide
CID 104832338
2-(cyclopropylamino)-4-(4-propan-2-ylphenoxy)butanamide
CID 63038784
ethyl 2-amino-4-(2-fluoro-3-methylphenoxy)butanoate
CID 107660550
4-(4-butan-2-ylphenoxy)-2-(cyclopropylamino)butanamide
CID 107667971
2-(cyclopropylamino)-4-(2,5-difluorophenoxy)butanoic acid
CID 63269768
2-(cyclopropylamino)-4-(2,5-dimethylphenoxy)butanoic acid
CID 55143193
4-(5-fluoro-2-methylphenoxy)-2-(methylamino)butanamide
CID 102983847

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(2-fluoro-3-methylphenoxy)butanamide?
The IUPAC name of 2-(cyclopropylamino)-4-(2-fluoro-3-methylphenoxy)butanamide (CID 107660548) is 2-(cyclopropylamino)-4-(2-fluoro-3-methylphenoxy)butanamide.
What is the SMILES notation for 2-(cyclopropylamino)-4-(2-fluoro-3-methylphenoxy)butanamide?
The canonical SMILES for 2-(cyclopropylamino)-4-(2-fluoro-3-methylphenoxy)butanamide is Cc1cccc(OCCC(NC2CC2)C(N)=O)c1F.
What is the InChIKey of 2-(cyclopropylamino)-4-(2-fluoro-3-methylphenoxy)butanamide?
The InChIKey is LSQUEUBKQYFAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-9-3-2-4-12(13(9)15)19-8-7-11(14(16)18)17-10-5-6-10/h2-4,10-11,17H,5-8H2,1H3,(H2,16,18).
What are the key properties of 2-(cyclopropylamino)-4-(2-fluoro-3-methylphenoxy)butanamide?
2-(cyclopropylamino)-4-(2-fluoro-3-methylphenoxy)butanamide has a molecular weight of 266.32 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(2-fluoro-3-methylphenoxy)butanamide is sourced from PubChem (CID 107660548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).