4-(2,4-difluorophenyl)-1-methoxybutan-2-amine

C11H15F2NO — CID 62318724

IUPAC4-(2,4-difluorophenyl)-1-methoxybutan-2-amine
SMILESCOCC(N)CCc1ccc(F)cc1F
InChIInChI=1S/C11H15F2NO/c1-15-7-10(14)5-3-8-2-4-9(12)6-11(8)13/h2,4,6,10H,3,5,7,14H2,1H3
InChIKeyZTKVIAMAIWHHFE-UHFFFAOYSA-N
MW215.24 g/mol
LogP1.87
Rot. Bonds5

About 4-(2,4-difluorophenyl)-1-methoxybutan-2-amine

4-(2,4-difluorophenyl)-1-methoxybutan-2-amine (PubChem CID 62318724) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-1-methoxybutan-2-amine.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-1-methoxybutan-2-amine
PubChem CID62318724
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name4-(2,4-difluorophenyl)-1-methoxybutan-2-amine
SMILESCOCC(N)CCc1ccc(F)cc1F
InChIInChI=1S/C11H15F2NO/c1-15-7-10(14)5-3-8-2-4-9(12)6-11(8)13/h2,4,6,10H,3,5,7,14H2,1H3
InChIKeyZTKVIAMAIWHHFE-UHFFFAOYSA-N
XLogP1.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,5-difluorophenyl)-1-methoxybutan-2-amine
CID 62319637
1-(2,4-difluorophenoxy)-3-methoxypropan-2-amine
CID 107506506
N-[2-(2,4-difluorophenyl)ethyl]-1-methoxypropan-2-amine
CID 115663744
1-(4-fluorophenoxy)-4-methoxybutan-2-amine
CID 117236773
1-(2-ethyl-5-fluorophenyl)-2-methoxyethanamine
CID 55273260
1,3-bis(2,4-difluorophenyl)propan-2-amine
CID 64561196
2-[2-(2,4-difluorophenyl)ethoxy]ethanamine
CID 65300666
4-(2,4-difluorophenyl)-2-methylbutanoic acid
CID 81009481
1-(2,4-difluorophenyl)-4,4-dimethylpentan-3-ol
CID 62197542
2-bromo-1-(3-bromo-4-methoxybutyl)-4-fluorobenzene
CID 62318931
1-(2,4-difluorophenyl)-4-phenylbutan-2-amine
CID 62196088
(1R)-2-methoxy-1-(2,4,6-trifluorophenyl)ethanamine
CID 131142487

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-1-methoxybutan-2-amine?
The IUPAC name of 4-(2,4-difluorophenyl)-1-methoxybutan-2-amine (CID 62318724) is 4-(2,4-difluorophenyl)-1-methoxybutan-2-amine.
What is the SMILES notation for 4-(2,4-difluorophenyl)-1-methoxybutan-2-amine?
The canonical SMILES for 4-(2,4-difluorophenyl)-1-methoxybutan-2-amine is COCC(N)CCc1ccc(F)cc1F.
What is the InChIKey of 4-(2,4-difluorophenyl)-1-methoxybutan-2-amine?
The InChIKey is ZTKVIAMAIWHHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-15-7-10(14)5-3-8-2-4-9(12)6-11(8)13/h2,4,6,10H,3,5,7,14H2,1H3.
What are the key properties of 4-(2,4-difluorophenyl)-1-methoxybutan-2-amine?
4-(2,4-difluorophenyl)-1-methoxybutan-2-amine has a molecular weight of 215.24 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-1-methoxybutan-2-amine is sourced from PubChem (CID 62318724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).