1-(3,4-difluorophenoxy)-3-methylbutan-2-amine

C11H15F2NO — CID 86262545

IUPAC1-(3,4-difluorophenoxy)-3-methylbutan-2-amine
SMILESCC(C)C(N)COc1ccc(F)c(F)c1
InChIInChI=1S/C11H15F2NO/c1-7(2)11(14)6-15-8-3-4-9(12)10(13)5-8/h3-5,7,11H,6,14H2,1-2H3
InChIKeyNHYPNRASDWDXTA-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.33
Rot. Bonds4

About 1-(3,4-difluorophenoxy)-3-methylbutan-2-amine

1-(3,4-difluorophenoxy)-3-methylbutan-2-amine (PubChem CID 86262545) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 1-(3,4-difluorophenoxy)-3-methylbutan-2-amine.

Molecular Properties

Compound Name1-(3,4-difluorophenoxy)-3-methylbutan-2-amine
PubChem CID86262545
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name1-(3,4-difluorophenoxy)-3-methylbutan-2-amine
SMILESCC(C)C(N)COc1ccc(F)c(F)c1
InChIInChI=1S/C11H15F2NO/c1-7(2)11(14)6-15-8-3-4-9(12)10(13)5-8/h3-5,7,11H,6,14H2,1-2H3
InChIKeyNHYPNRASDWDXTA-UHFFFAOYSA-N
XLogP2.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorophenoxy)-3-methylbutan-2-amine;hydrochloride
CID 86262544
(2R)-1-(4-fluorophenoxy)-3-methylbutan-2-amine
CID 96818001
1-(3-fluorophenoxy)-3-methylbutan-2-amine;hydrochloride
CID 86262538
(2S)-3-methyl-1-(4-methylphenoxy)butan-2-amine
CID 39109844
2-(3,4-difluorophenoxy)-1-phenylethanamine
CID 63772754
1-(3-chlorophenoxy)-3-methylbutan-2-amine;hydrochloride
CID 86262539
(2S)-3-methyl-1-(4-phenylphenoxy)butan-2-amine
CID 39109994
4-[2-(bromomethyl)butoxy]-1,2-difluorobenzene
CID 64995343
3-(3,4-difluorophenoxy)-N-ethyl-2-methylpropan-1-amine
CID 62486090
(2S)-1-(1,3-benzodioxol-5-yloxy)-3-methylbutan-2-amine
CID 82080454
(2S)-2-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-methylbutanamide;hydrochloride
CID 119319094
(1S)-1-[2-fluoro-4-(2-methylbutoxy)phenyl]ethanamine
CID 107718803

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenoxy)-3-methylbutan-2-amine?
The IUPAC name of 1-(3,4-difluorophenoxy)-3-methylbutan-2-amine (CID 86262545) is 1-(3,4-difluorophenoxy)-3-methylbutan-2-amine.
What is the SMILES notation for 1-(3,4-difluorophenoxy)-3-methylbutan-2-amine?
The canonical SMILES for 1-(3,4-difluorophenoxy)-3-methylbutan-2-amine is CC(C)C(N)COc1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenoxy)-3-methylbutan-2-amine?
The InChIKey is NHYPNRASDWDXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-7(2)11(14)6-15-8-3-4-9(12)10(13)5-8/h3-5,7,11H,6,14H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenoxy)-3-methylbutan-2-amine?
1-(3,4-difluorophenoxy)-3-methylbutan-2-amine has a molecular weight of 215.24 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenoxy)-3-methylbutan-2-amine is sourced from PubChem (CID 86262545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).