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

C15H17FN2 — CID 82542784

IUPAC3-[5-(3-fluorophenyl)-3-pyridinyl]butan-1-amine
SMILESCC(CCN)c1cncc(-c2cccc(F)c2)c1
InChIInChI=1S/C15H17FN2/c1-11(5-6-17)13-7-14(10-18-9-13)12-3-2-4-15(16)8-12/h2-4,7-11H,5-6,17H2,1H3
InChIKeyFCTHWYUBTLUPIK-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.34
Rot. Bonds4

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

3-[5-(3-fluorophenyl)-3-pyridinyl]butan-1-amine (PubChem CID 82542784) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is 3-[5-(3-fluorophenyl)-3-pyridinyl]butan-1-amine.

Molecular Properties

Compound Name3-[5-(3-fluorophenyl)-3-pyridinyl]butan-1-amine
PubChem CID82542784
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC Name3-[5-(3-fluorophenyl)-3-pyridinyl]butan-1-amine
SMILESCC(CCN)c1cncc(-c2cccc(F)c2)c1
InChIInChI=1S/C15H17FN2/c1-11(5-6-17)13-7-14(10-18-9-13)12-3-2-4-15(16)8-12/h2-4,7-11H,5-6,17H2,1H3
InChIKeyFCTHWYUBTLUPIK-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

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Related Compounds

3-[5-(4-fluorophenyl)-3-pyridinyl]butan-1-amine
CID 82542814
3-[5-(3,4-difluorophenyl)-3-pyridinyl]butan-1-amine
CID 82542631
3-[5-(4-methoxyphenyl)-3-pyridinyl]butan-1-amine
CID 82542752
3,5-bis[3-(3-fluorophenyl)phenyl]pyridine
CID 144604637
3-[5-(2-methoxyphenyl)-3-pyridinyl]butan-1-amine
CID 82542720
3-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]butan-1-amine
CID 110447605
4-[4-(3-fluorophenyl)phenyl]-3-methylbutan-1-amine
CID 82542782
5-[3-(3-fluorophenyl)phenyl]-3-methylpentan-1-amine
CID 82542777
5-(3-fluorophenyl)pyridine-3-carboxamide
CID 71303502
5-[4-(3-fluorophenyl)phenyl]-3-methylpentan-1-amine
CID 82542776
3-[4-(3,4-difluorophenyl)phenyl]butan-1-amine
CID 82542632
3-[3-(3,4-dimethoxyphenyl)phenyl]butan-1-amine
CID 82542335

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-fluorophenyl)-3-pyridinyl]butan-1-amine?
The IUPAC name of 3-[5-(3-fluorophenyl)-3-pyridinyl]butan-1-amine (CID 82542784) is 3-[5-(3-fluorophenyl)-3-pyridinyl]butan-1-amine.
What is the SMILES notation for 3-[5-(3-fluorophenyl)-3-pyridinyl]butan-1-amine?
The canonical SMILES for 3-[5-(3-fluorophenyl)-3-pyridinyl]butan-1-amine is CC(CCN)c1cncc(-c2cccc(F)c2)c1.
What is the InChIKey of 3-[5-(3-fluorophenyl)-3-pyridinyl]butan-1-amine?
The InChIKey is FCTHWYUBTLUPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2/c1-11(5-6-17)13-7-14(10-18-9-13)12-3-2-4-15(16)8-12/h2-4,7-11H,5-6,17H2,1H3.
What are the key properties of 3-[5-(3-fluorophenyl)-3-pyridinyl]butan-1-amine?
3-[5-(3-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-(3-fluorophenyl)-3-pyridinyl]butan-1-amine is sourced from PubChem (CID 82542784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).