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

C16H19FN2O — CID 105122524

IUPAC1-(3-fluoro-4-methoxyphenyl)-4-pyridin-4-ylbutan-2-amine
SMILESCOc1ccc(CC(N)CCc2ccncc2)cc1F
InChIInChI=1S/C16H19FN2O/c1-20-16-5-3-13(11-15(16)17)10-14(18)4-2-12-6-8-19-9-7-12/h3,5-9,11,14H,2,4,10,18H2,1H3
InChIKeyKVWPCCHRTQFEQI-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.73
Rot. Bonds6

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

1-(3-fluoro-4-methoxyphenyl)-4-pyridin-4-ylbutan-2-amine (PubChem CID 105122524) 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-4-ylbutan-2-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-4-pyridin-4-ylbutan-2-amine
PubChem CID105122524
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-4-pyridin-4-ylbutan-2-amine
SMILESCOc1ccc(CC(N)CCc2ccncc2)cc1F
InChIInChI=1S/C16H19FN2O/c1-20-16-5-3-13(11-15(16)17)10-14(18)4-2-12-6-8-19-9-7-12/h3,5-9,11,14H,2,4,10,18H2,1H3
InChIKeyKVWPCCHRTQFEQI-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-fluoro-4-methoxyphenyl)-3-pyridin-4-ylpropan-2-amine
CID 62605642
1-(3-fluoro-4-methoxyphenyl)-4-(4-methylphenyl)butan-2-amine
CID 105122506
1-(3-fluoro-4-methoxyphenyl)-4-pyridin-3-ylbutan-2-amine
CID 105122507
1-(3-fluoro-4-methoxyphenyl)-5-phenylpentan-2-amine
CID 105122085
1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine
CID 62601628
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-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)butan-2-amine
CID 115829847
2-(3-fluoro-4-methoxyphenyl)-1-pyrimidin-4-ylethanamine
CID 63988949
1-(4-chloro-3-fluorophenyl)-4-(4-methoxyphenyl)butan-2-amine
CID 107892055
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-pyridin-4-ylethanamine
CID 86978948
1-(3-fluoro-4-methoxyphenyl)-3-(3-methylphenyl)propan-2-amine
CID 62604498

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-4-pyridin-4-ylbutan-2-amine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-4-pyridin-4-ylbutan-2-amine (CID 105122524) is 1-(3-fluoro-4-methoxyphenyl)-4-pyridin-4-ylbutan-2-amine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-4-pyridin-4-ylbutan-2-amine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-4-pyridin-4-ylbutan-2-amine is COc1ccc(CC(N)CCc2ccncc2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-4-pyridin-4-ylbutan-2-amine?
The InChIKey is KVWPCCHRTQFEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-20-16-5-3-13(11-15(16)17)10-14(18)4-2-12-6-8-19-9-7-12/h3,5-9,11,14H,2,4,10,18H2,1H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-4-pyridin-4-ylbutan-2-amine?
1-(3-fluoro-4-methoxyphenyl)-4-pyridin-4-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-4-ylbutan-2-amine is sourced from PubChem (CID 105122524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).