1-[3,5-difluoro-4-(pyridin-3-ylmethoxy)phenyl]butan-2-amine

C16H18F2N2O — CID 79882772

IUPAC1-[3,5-difluoro-4-(pyridin-3-ylmethoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1cc(F)c(OCc2cccnc2)c(F)c1
InChIInChI=1S/C16H18F2N2O/c1-2-13(19)6-12-7-14(17)16(15(18)8-12)21-10-11-4-3-5-20-9-11/h3-5,7-9,13H,2,6,10,19H2,1H3
InChIKeyAVEFOBGFSKSUND-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.22
Rot. Bonds6

About 1-[3,5-difluoro-4-(pyridin-3-ylmethoxy)phenyl]butan-2-amine

1-[3,5-difluoro-4-(pyridin-3-ylmethoxy)phenyl]butan-2-amine (PubChem CID 79882772) has the molecular formula C16H18F2N2O and a molecular weight of 292.33 g/mol. Its IUPAC name is 1-[3,5-difluoro-4-(pyridin-3-ylmethoxy)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[3,5-difluoro-4-(pyridin-3-ylmethoxy)phenyl]butan-2-amine
PubChem CID79882772
Molecular FormulaC16H18F2N2O
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name1-[3,5-difluoro-4-(pyridin-3-ylmethoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1cc(F)c(OCc2cccnc2)c(F)c1
InChIInChI=1S/C16H18F2N2O/c1-2-13(19)6-12-7-14(17)16(15(18)8-12)21-10-11-4-3-5-20-9-11/h3-5,7-9,13H,2,6,10,19H2,1H3
InChIKeyAVEFOBGFSKSUND-UHFFFAOYSA-N
XLogP3.22
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(pyridin-3-ylmethoxy)phenyl]butan-2-amine
CID 54929362
(2S)-1-pyridin-3-ylbutan-2-amine
CID 93246137
1-[3,5-difluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]butan-2-amine
CID 79888395
1-[4-(3-chloroprop-2-enoxy)-3,5-difluorophenyl]butan-2-amine
CID 79887693
1-[3,5-difluoro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]butan-2-amine
CID 79882774
1-[3,5-difluoro-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-amine
CID 79882796
1-[3,5-difluoro-4-(2-methoxyethoxy)phenyl]butan-2-amine
CID 79888080
1-[4-(2-ethoxyethoxy)-3,5-difluorophenyl]butan-2-amine
CID 79887772
1-(3-fluoro-4-phenylmethoxyphenyl)butan-2-amine
CID 107693258
1-[3-fluoro-4-(pyridin-3-ylmethoxy)phenyl]ethanamine
CID 113389434
1-[4-[(4-bromothiophen-2-yl)methoxy]-3,5-difluorophenyl]butan-2-amine
CID 79882803
1-(4-but-2-ynoxy-3,5-difluorophenyl)butan-2-amine
CID 79887773

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-difluoro-4-(pyridin-3-ylmethoxy)phenyl]butan-2-amine?
The IUPAC name of 1-[3,5-difluoro-4-(pyridin-3-ylmethoxy)phenyl]butan-2-amine (CID 79882772) is 1-[3,5-difluoro-4-(pyridin-3-ylmethoxy)phenyl]butan-2-amine.
What is the SMILES notation for 1-[3,5-difluoro-4-(pyridin-3-ylmethoxy)phenyl]butan-2-amine?
The canonical SMILES for 1-[3,5-difluoro-4-(pyridin-3-ylmethoxy)phenyl]butan-2-amine is CCC(N)Cc1cc(F)c(OCc2cccnc2)c(F)c1.
What is the InChIKey of 1-[3,5-difluoro-4-(pyridin-3-ylmethoxy)phenyl]butan-2-amine?
The InChIKey is AVEFOBGFSKSUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O/c1-2-13(19)6-12-7-14(17)16(15(18)8-12)21-10-11-4-3-5-20-9-11/h3-5,7-9,13H,2,6,10,19H2,1H3.
What are the key properties of 1-[3,5-difluoro-4-(pyridin-3-ylmethoxy)phenyl]butan-2-amine?
1-[3,5-difluoro-4-(pyridin-3-ylmethoxy)phenyl]butan-2-amine has a molecular weight of 292.33 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-difluoro-4-(pyridin-3-ylmethoxy)phenyl]butan-2-amine is sourced from PubChem (CID 79882772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).