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

C16H19FN2O — CID 105122507

IUPAC1-(3-fluoro-4-methoxyphenyl)-4-pyridin-3-ylbutan-2-amine
SMILESCOc1ccc(CC(N)CCc2cccnc2)cc1F
InChIInChI=1S/C16H19FN2O/c1-20-16-7-5-13(10-15(16)17)9-14(18)6-4-12-3-2-8-19-11-12/h2-3,5,7-8,10-11,14H,4,6,9,18H2,1H3
InChIKeyWRXJDJBVRUHBIH-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.73
Rot. Bonds6

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

1-(3-fluoro-4-methoxyphenyl)-4-pyridin-3-ylbutan-2-amine (PubChem CID 105122507) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-4-pyridin-3-ylbutan-2-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-4-pyridin-3-ylbutan-2-amine
PubChem CID105122507
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-4-pyridin-3-ylbutan-2-amine
SMILESCOc1ccc(CC(N)CCc2cccnc2)cc1F
InChIInChI=1S/C16H19FN2O/c1-20-16-7-5-13(10-15(16)17)9-14(18)6-4-12-3-2-8-19-11-12/h2-3,5,7-8,10-11,14H,4,6,9,18H2,1H3
InChIKeyWRXJDJBVRUHBIH-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-4-ylbutan-2-amine
CID 105122524
1-(3-fluoro-4-methoxyphenyl)-4-(4-methylphenyl)butan-2-amine
CID 105122506
1-(2-fluoro-3-methoxyphenyl)-4-pyridin-3-ylbutan-2-amine
CID 105180686
1-(3-fluoro-4-methoxyphenyl)-5-phenylpentan-2-amine
CID 105122085
1-(3-fluoro-4-methoxyphenyl)-3-pyridin-4-ylpropan-2-amine
CID 62605642
1-(4-ethylphenyl)-4-pyridin-3-ylbutan-2-amine
CID 105101899
1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine
CID 62601628
1-(3-fluoro-4-methoxyphenyl)-3-(3-methylphenyl)propan-2-amine
CID 62604498
1-(3-fluoro-4-methoxyphenyl)-3-pyridin-3-ylpropan-2-one
CID 62620103
1-(3-fluoro-4-methoxyphenyl)-4,4-dimethylpentan-2-amine
CID 63889804
1-(3-fluoro-4-methoxyphenyl)-3-propan-2-yloxypropan-2-amine
CID 105122103
4-pyridin-3-yl-1-(2,4,6-trimethylphenyl)butan-2-amine
CID 105121222

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-4-pyridin-3-ylbutan-2-amine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-4-pyridin-3-ylbutan-2-amine (CID 105122507) is 1-(3-fluoro-4-methoxyphenyl)-4-pyridin-3-ylbutan-2-amine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-4-pyridin-3-ylbutan-2-amine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-4-pyridin-3-ylbutan-2-amine is COc1ccc(CC(N)CCc2cccnc2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-4-pyridin-3-ylbutan-2-amine?
The InChIKey is WRXJDJBVRUHBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-20-16-7-5-13(10-15(16)17)9-14(18)6-4-12-3-2-8-19-11-12/h2-3,5,7-8,10-11,14H,4,6,9,18H2,1H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-4-pyridin-3-ylbutan-2-amine?
1-(3-fluoro-4-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-(3-fluoro-4-methoxyphenyl)-4-pyridin-3-ylbutan-2-amine is sourced from PubChem (CID 105122507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).