1-(2-fluoro-3-methoxyphenyl)-4-pyridin-3-ylbutan-2-amine

C16H19FN2O — CID 105180686

IUPAC1-(2-fluoro-3-methoxyphenyl)-4-pyridin-3-ylbutan-2-amine
SMILESCOc1cccc(CC(N)CCc2cccnc2)c1F
InChIInChI=1S/C16H19FN2O/c1-20-15-6-2-5-13(16(15)17)10-14(18)8-7-12-4-3-9-19-11-12/h2-6,9,11,14H,7-8,10,18H2,1H3
InChIKeyVRTMXPSGWHOKDQ-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.73
Rot. Bonds6

About 1-(2-fluoro-3-methoxyphenyl)-4-pyridin-3-ylbutan-2-amine

1-(2-fluoro-3-methoxyphenyl)-4-pyridin-3-ylbutan-2-amine (PubChem CID 105180686) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)-4-pyridin-3-ylbutan-2-amine.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)-4-pyridin-3-ylbutan-2-amine
PubChem CID105180686
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name1-(2-fluoro-3-methoxyphenyl)-4-pyridin-3-ylbutan-2-amine
SMILESCOc1cccc(CC(N)CCc2cccnc2)c1F
InChIInChI=1S/C16H19FN2O/c1-20-15-6-2-5-13(16(15)17)10-14(18)8-7-12-4-3-9-19-11-12/h2-6,9,11,14H,7-8,10,18H2,1H3
InChIKeyVRTMXPSGWHOKDQ-UHFFFAOYSA-N
XLogP2.73
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-4-pyridin-3-ylbutan-2-amine
CID 105122507
N-ethyl-1-(2-fluoro-3-methoxyphenyl)-3-pyridin-3-ylpropan-2-amine
CID 104793900
1-(2-fluoro-3-methoxyphenyl)-3-pyridin-3-ylpropan-2-one
CID 113453730
1-(2,3-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-amine
CID 105035587
1-(2-fluoro-3-methoxyphenyl)-4-propoxybutan-2-amine
CID 105180608
1-(2-fluoro-3-methoxyphenyl)-4-pyridin-4-ylbutan-2-ol
CID 105125656
1-(4-ethylphenyl)-4-pyridin-3-ylbutan-2-amine
CID 105101899
1-pyridin-3-ylhexan-3-amine
CID 64506028
1-(2-fluoro-3-methoxyphenyl)-5-methylhexan-3-amine
CID 104792686
6-methyl-1-pyridin-3-ylheptan-3-amine
CID 105127244
4-(2-fluoro-3-methoxyphenyl)-3-methylbutan-2-amine
CID 104792644
4-pyridin-3-yl-1-(2,4,6-trimethylphenyl)butan-2-amine
CID 105121222

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-4-pyridin-3-ylbutan-2-amine?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-4-pyridin-3-ylbutan-2-amine (CID 105180686) is 1-(2-fluoro-3-methoxyphenyl)-4-pyridin-3-ylbutan-2-amine.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)-4-pyridin-3-ylbutan-2-amine?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)-4-pyridin-3-ylbutan-2-amine is COc1cccc(CC(N)CCc2cccnc2)c1F.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)-4-pyridin-3-ylbutan-2-amine?
The InChIKey is VRTMXPSGWHOKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-20-15-6-2-5-13(16(15)17)10-14(18)8-7-12-4-3-9-19-11-12/h2-6,9,11,14H,7-8,10,18H2,1H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)-4-pyridin-3-ylbutan-2-amine?
1-(2-fluoro-3-methoxyphenyl)-4-pyridin-3-ylbutan-2-amine has a molecular weight of 274.34 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methoxyphenyl)-4-pyridin-3-ylbutan-2-amine is sourced from PubChem (CID 105180686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).