1-[(2,6-difluorophenyl)methoxy]butan-2-amine

C11H15F2NO — CID 102548785

IUPAC1-[(2,6-difluorophenyl)methoxy]butan-2-amine
SMILESCCC(N)COCc1c(F)cccc1F
InChIInChI=1S/C11H15F2NO/c1-2-8(14)6-15-7-9-10(12)4-3-5-11(9)13/h3-5,8H,2,6-7,14H2,1H3
InChIKeyHIKLYJACZCGZAZ-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.22
Rot. Bonds5

About 1-[(2,6-difluorophenyl)methoxy]butan-2-amine

1-[(2,6-difluorophenyl)methoxy]butan-2-amine (PubChem CID 102548785) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methoxy]butan-2-amine.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)methoxy]butan-2-amine
PubChem CID102548785
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name1-[(2,6-difluorophenyl)methoxy]butan-2-amine
SMILESCCC(N)COCc1c(F)cccc1F
InChIInChI=1S/C11H15F2NO/c1-2-8(14)6-15-7-9-10(12)4-3-5-11(9)13/h3-5,8H,2,6-7,14H2,1H3
InChIKeyHIKLYJACZCGZAZ-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-fluorophenyl)methoxy]butan-2-amine
CID 22448356
(2R)-1-[(4-fluorophenyl)methoxy]butan-2-amine
CID 95964424
1-chloro-3-fluoro-2-(2-methylbutoxymethyl)benzene
CID 91718297
1-[2-[(2,6-difluorophenyl)methoxy]phenyl]propan-1-amine
CID 114930018
(2S)-1-[(3-methylphenyl)methoxy]butan-2-amine
CID 97057916
3-(2-aminobutoxymethyl)aniline
CID 57007296
2-(2-ethylhexoxymethyl)-3-fluoroaniline
CID 63331598
1-(2-fluoro-6-methoxyphenyl)butan-2-amine;hydrochloride
CID 170889150
(2S)-1-[[4-(difluoromethoxy)phenyl]methoxy]butan-2-amine
CID 97058295
3-(2-aminobutoxymethyl)benzonitrile
CID 82352991
6-(2-chloro-6-fluorophenyl)hexan-3-amine
CID 64503216
3-[(2,6-difluorophenyl)methoxy]-2-(2,6-dimethylphenyl)-N-propylpropan-1-amine
CID 18434988

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluorophenyl)methoxy]butan-2-amine?
The IUPAC name of 1-[(2,6-difluorophenyl)methoxy]butan-2-amine (CID 102548785) is 1-[(2,6-difluorophenyl)methoxy]butan-2-amine.
What is the SMILES notation for 1-[(2,6-difluorophenyl)methoxy]butan-2-amine?
The canonical SMILES for 1-[(2,6-difluorophenyl)methoxy]butan-2-amine is CCC(N)COCc1c(F)cccc1F.
What is the InChIKey of 1-[(2,6-difluorophenyl)methoxy]butan-2-amine?
The InChIKey is HIKLYJACZCGZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-2-8(14)6-15-7-9-10(12)4-3-5-11(9)13/h3-5,8H,2,6-7,14H2,1H3.
What are the key properties of 1-[(2,6-difluorophenyl)methoxy]butan-2-amine?
1-[(2,6-difluorophenyl)methoxy]butan-2-amine has a molecular weight of 215.24 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluorophenyl)methoxy]butan-2-amine is sourced from PubChem (CID 102548785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).