3-[5-(4-fluorophenyl)-3-pyridinyl]butan-1-amine

C15H17FN2 — CID 82542814

IUPAC3-[5-(4-fluorophenyl)-3-pyridinyl]butan-1-amine
SMILESCC(CCN)c1cncc(-c2ccc(F)cc2)c1
InChIInChI=1S/C15H17FN2/c1-11(6-7-17)13-8-14(10-18-9-13)12-2-4-15(16)5-3-12/h2-5,8-11H,6-7,17H2,1H3
InChIKeyZLXOSFARVVARBZ-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.34
Rot. Bonds4

About 3-[5-(4-fluorophenyl)-3-pyridinyl]butan-1-amine

3-[5-(4-fluorophenyl)-3-pyridinyl]butan-1-amine (PubChem CID 82542814) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)-3-pyridinyl]butan-1-amine.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)-3-pyridinyl]butan-1-amine
PubChem CID82542814
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC Name3-[5-(4-fluorophenyl)-3-pyridinyl]butan-1-amine
SMILESCC(CCN)c1cncc(-c2ccc(F)cc2)c1
InChIInChI=1S/C15H17FN2/c1-11(6-7-17)13-8-14(10-18-9-13)12-2-4-15(16)5-3-12/h2-5,8-11H,6-7,17H2,1H3
InChIKeyZLXOSFARVVARBZ-UHFFFAOYSA-N
XLogP3.34
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[5-(4-fluorophenyl)-3-pyridinyl]butan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenyl)-3-pyridinyl]butan-1-amine?
The IUPAC name of 3-[5-(4-fluorophenyl)-3-pyridinyl]butan-1-amine (CID 82542814) is 3-[5-(4-fluorophenyl)-3-pyridinyl]butan-1-amine.
What is the SMILES notation for 3-[5-(4-fluorophenyl)-3-pyridinyl]butan-1-amine?
The canonical SMILES for 3-[5-(4-fluorophenyl)-3-pyridinyl]butan-1-amine is CC(CCN)c1cncc(-c2ccc(F)cc2)c1.
What is the InChIKey of 3-[5-(4-fluorophenyl)-3-pyridinyl]butan-1-amine?
The InChIKey is ZLXOSFARVVARBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2/c1-11(6-7-17)13-8-14(10-18-9-13)12-2-4-15(16)5-3-12/h2-5,8-11H,6-7,17H2,1H3.
What are the key properties of 3-[5-(4-fluorophenyl)-3-pyridinyl]butan-1-amine?
3-[5-(4-fluorophenyl)-3-pyridinyl]butan-1-amine has a molecular weight of 244.31 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenyl)-3-pyridinyl]butan-1-amine is sourced from PubChem (CID 82542814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).