2-(3,5-difluorophenoxy)-3-methylbutan-1-amine

C11H15F2NO — CID 62784520

IUPAC2-(3,5-difluorophenoxy)-3-methylbutan-1-amine
SMILESCC(C)C(CN)Oc1cc(F)cc(F)c1
InChIInChI=1S/C11H15F2NO/c1-7(2)11(6-14)15-10-4-8(12)3-9(13)5-10/h3-5,7,11H,6,14H2,1-2H3
InChIKeyCQBFIFRYBYNOED-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.33
Rot. Bonds4

About 2-(3,5-difluorophenoxy)-3-methylbutan-1-amine

2-(3,5-difluorophenoxy)-3-methylbutan-1-amine (PubChem CID 62784520) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 2-(3,5-difluorophenoxy)-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-(3,5-difluorophenoxy)-3-methylbutan-1-amine
PubChem CID62784520
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name2-(3,5-difluorophenoxy)-3-methylbutan-1-amine
SMILESCC(C)C(CN)Oc1cc(F)cc(F)c1
InChIInChI=1S/C11H15F2NO/c1-7(2)11(6-14)15-10-4-8(12)3-9(13)5-10/h3-5,7,11H,6,14H2,1-2H3
InChIKeyCQBFIFRYBYNOED-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

2-(3,5-difluorophenoxy)-3,3-dimethylbutan-1-amine
CID 62784283
2-(4-chloro-3-fluorophenoxy)-3-methylbutan-1-amine
CID 82727291
4-(3,5-difluorophenoxy)pentan-2-amine
CID 64720470
2-(2,3-dihydro-1H-inden-5-yloxy)-3-methylbutan-1-amine
CID 62459614
3-methyl-2-(4-propylphenoxy)butan-1-amine
CID 62548251
4-(3,5-difluorophenoxy)-5,5-dimethylhexan-3-amine
CID 62784471
2-N-[(3,5-difluorophenyl)methyl]-3-methylbutane-1,2-diamine
CID 106345506
CID 150187943
CID 150187943
4-(3,5-difluorophenoxy)-N-methylpentan-2-amine
CID 64720468
4-(3,5-difluorophenoxy)pentan-2-one
CID 64697141
2-[(3,5-difluorophenyl)-fluoromethyl]-3-methylbutan-1-amine
CID 107443779
2-(2-chlorophenyl)-2-(3,5-difluorophenoxy)ethanamine
CID 62785210

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenoxy)-3-methylbutan-1-amine?
The IUPAC name of 2-(3,5-difluorophenoxy)-3-methylbutan-1-amine (CID 62784520) is 2-(3,5-difluorophenoxy)-3-methylbutan-1-amine.
What is the SMILES notation for 2-(3,5-difluorophenoxy)-3-methylbutan-1-amine?
The canonical SMILES for 2-(3,5-difluorophenoxy)-3-methylbutan-1-amine is CC(C)C(CN)Oc1cc(F)cc(F)c1.
What is the InChIKey of 2-(3,5-difluorophenoxy)-3-methylbutan-1-amine?
The InChIKey is CQBFIFRYBYNOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-7(2)11(6-14)15-10-4-8(12)3-9(13)5-10/h3-5,7,11H,6,14H2,1-2H3.
What are the key properties of 2-(3,5-difluorophenoxy)-3-methylbutan-1-amine?
2-(3,5-difluorophenoxy)-3-methylbutan-1-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 2-(3,5-difluorophenoxy)-3-methylbutan-1-amine is sourced from PubChem (CID 62784520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).