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

C15H16F2N2 — CID 82542631

IUPAC3-[5-(3,4-difluorophenyl)-3-pyridinyl]butan-1-amine
SMILESCC(CCN)c1cncc(-c2ccc(F)c(F)c2)c1
InChIInChI=1S/C15H16F2N2/c1-10(4-5-18)12-6-13(9-19-8-12)11-2-3-14(16)15(17)7-11/h2-3,6-10H,4-5,18H2,1H3
InChIKeyUCMIUPVSISHAEA-UHFFFAOYSA-N
MW262.30 g/mol
LogP3.48
Rot. Bonds4

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

3-[5-(3,4-difluorophenyl)-3-pyridinyl]butan-1-amine (PubChem CID 82542631) has the molecular formula C15H16F2N2 and a molecular weight of 262.30 g/mol. Its IUPAC name is 3-[5-(3,4-difluorophenyl)-3-pyridinyl]butan-1-amine.

Molecular Properties

Compound Name3-[5-(3,4-difluorophenyl)-3-pyridinyl]butan-1-amine
PubChem CID82542631
Molecular FormulaC15H16F2N2
Molecular Weight262.30 g/mol
Exact Mass262.13
IUPAC Name3-[5-(3,4-difluorophenyl)-3-pyridinyl]butan-1-amine
SMILESCC(CCN)c1cncc(-c2ccc(F)c(F)c2)c1
InChIInChI=1S/C15H16F2N2/c1-10(4-5-18)12-6-13(9-19-8-12)11-2-3-14(16)15(17)7-11/h2-3,6-10H,4-5,18H2,1H3
InChIKeyUCMIUPVSISHAEA-UHFFFAOYSA-N
XLogP3.48
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(3,4-difluorophenyl)-3-pyridinyl]butan-1-amine?
The IUPAC name of 3-[5-(3,4-difluorophenyl)-3-pyridinyl]butan-1-amine (CID 82542631) is 3-[5-(3,4-difluorophenyl)-3-pyridinyl]butan-1-amine.
What is the SMILES notation for 3-[5-(3,4-difluorophenyl)-3-pyridinyl]butan-1-amine?
The canonical SMILES for 3-[5-(3,4-difluorophenyl)-3-pyridinyl]butan-1-amine is CC(CCN)c1cncc(-c2ccc(F)c(F)c2)c1.
What is the InChIKey of 3-[5-(3,4-difluorophenyl)-3-pyridinyl]butan-1-amine?
The InChIKey is UCMIUPVSISHAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2/c1-10(4-5-18)12-6-13(9-19-8-12)11-2-3-14(16)15(17)7-11/h2-3,6-10H,4-5,18H2,1H3.
What are the key properties of 3-[5-(3,4-difluorophenyl)-3-pyridinyl]butan-1-amine?
3-[5-(3,4-difluorophenyl)-3-pyridinyl]butan-1-amine has a molecular weight of 262.30 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3,4-difluorophenyl)-3-pyridinyl]butan-1-amine is sourced from PubChem (CID 82542631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).