4-(2,5-difluorophenyl)-1-methoxybutan-2-amine

C11H15F2NO — CID 62319637

IUPAC4-(2,5-difluorophenyl)-1-methoxybutan-2-amine
SMILESCOCC(N)CCc1cc(F)ccc1F
InChIInChI=1S/C11H15F2NO/c1-15-7-10(14)4-2-8-6-9(12)3-5-11(8)13/h3,5-6,10H,2,4,7,14H2,1H3
InChIKeyLLKIVMONMAFMMN-UHFFFAOYSA-N
MW215.24 g/mol
LogP1.87
Rot. Bonds5

About 4-(2,5-difluorophenyl)-1-methoxybutan-2-amine

4-(2,5-difluorophenyl)-1-methoxybutan-2-amine (PubChem CID 62319637) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)-1-methoxybutan-2-amine.

Molecular Properties

Compound Name4-(2,5-difluorophenyl)-1-methoxybutan-2-amine
PubChem CID62319637
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name4-(2,5-difluorophenyl)-1-methoxybutan-2-amine
SMILESCOCC(N)CCc1cc(F)ccc1F
InChIInChI=1S/C11H15F2NO/c1-15-7-10(14)4-2-8-6-9(12)3-5-11(8)13/h3,5-6,10H,2,4,7,14H2,1H3
InChIKeyLLKIVMONMAFMMN-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-(2,4-difluorophenyl)-1-methoxybutan-2-amine
CID 62318724
1-(2,5-difluorophenyl)-5-methoxypentan-2-amine
CID 65092447
4-(2,5-difluorophenyl)-1,1,1-trifluorobutan-2-amine
CID 117046746
4-(4-chlorophenyl)-1-methoxybutan-2-amine
CID 62321130
N-(3-amino-4-methoxybutyl)-2,5-difluorobenzamide
CID 114163031
1-(2,4-difluorophenoxy)-3-methoxypropan-2-amine
CID 107506506
5-(2,5-difluorophenyl)pentane-2,3-diol
CID 83936139
1-(4-fluorophenoxy)-4-methoxybutan-2-amine
CID 117236773
2-(3-chloro-4-methoxybutyl)-4-fluoro-1-methylbenzene
CID 105374733
methyl 3-amino-4-(2,5-difluorophenyl)butanoate
CID 72978585
4-(2,5-difluorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 64666043
4-(2,5-difluorophenyl)-1-methoxybutan-2-one
CID 62320357

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenyl)-1-methoxybutan-2-amine?
The IUPAC name of 4-(2,5-difluorophenyl)-1-methoxybutan-2-amine (CID 62319637) is 4-(2,5-difluorophenyl)-1-methoxybutan-2-amine.
What is the SMILES notation for 4-(2,5-difluorophenyl)-1-methoxybutan-2-amine?
The canonical SMILES for 4-(2,5-difluorophenyl)-1-methoxybutan-2-amine is COCC(N)CCc1cc(F)ccc1F.
What is the InChIKey of 4-(2,5-difluorophenyl)-1-methoxybutan-2-amine?
The InChIKey is LLKIVMONMAFMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-15-7-10(14)4-2-8-6-9(12)3-5-11(8)13/h3,5-6,10H,2,4,7,14H2,1H3.
What are the key properties of 4-(2,5-difluorophenyl)-1-methoxybutan-2-amine?
4-(2,5-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-(2,5-difluorophenyl)-1-methoxybutan-2-amine is sourced from PubChem (CID 62319637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).