2-fluoro-N-[[6-[(2-fluoroanilino)methyl]-2-pyridinyl]methyl]aniline

C19H17F2N3 — CID 134153797

IUPAC2-fluoro-N-[[6-[(2-fluoroanilino)methyl]-2-pyridinyl]methyl]aniline
SMILESFc1ccccc1NCc1cccc(CNc2ccccc2F)n1
InChIInChI=1S/C19H17F2N3/c20-16-8-1-3-10-18(16)22-12-14-6-5-7-15(24-14)13-23-19-11-4-2-9-17(19)21/h1-11,22-23H,12-13H2
InChIKeyHUOMRUARVYTRIV-UHFFFAOYSA-N
MW325.36 g/mol
LogP4.58
Rot. Bonds6

About 2-fluoro-N-[[6-[(2-fluoroanilino)methyl]-2-pyridinyl]methyl]aniline

2-fluoro-N-[[6-[(2-fluoroanilino)methyl]-2-pyridinyl]methyl]aniline (PubChem CID 134153797) has the molecular formula C19H17F2N3 and a molecular weight of 325.36 g/mol. Its IUPAC name is 2-fluoro-N-[[6-[(2-fluoroanilino)methyl]-2-pyridinyl]methyl]aniline.

Molecular Properties

Compound Name2-fluoro-N-[[6-[(2-fluoroanilino)methyl]-2-pyridinyl]methyl]aniline
PubChem CID134153797
Molecular FormulaC19H17F2N3
Molecular Weight325.36 g/mol
Exact Mass325.14
IUPAC Name2-fluoro-N-[[6-[(2-fluoroanilino)methyl]-2-pyridinyl]methyl]aniline
SMILESFc1ccccc1NCc1cccc(CNc2ccccc2F)n1
InChIInChI=1S/C19H17F2N3/c20-16-8-1-3-10-18(16)22-12-14-6-5-7-15(24-14)13-23-19-11-4-2-9-17(19)21/h1-11,22-23H,12-13H2
InChIKeyHUOMRUARVYTRIV-UHFFFAOYSA-N
XLogP4.58
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[6-[(2-fluoroanilino)methyl]-2-pyridinyl]methyl]aniline?
The IUPAC name of 2-fluoro-N-[[6-[(2-fluoroanilino)methyl]-2-pyridinyl]methyl]aniline (CID 134153797) is 2-fluoro-N-[[6-[(2-fluoroanilino)methyl]-2-pyridinyl]methyl]aniline.
What is the SMILES notation for 2-fluoro-N-[[6-[(2-fluoroanilino)methyl]-2-pyridinyl]methyl]aniline?
The canonical SMILES for 2-fluoro-N-[[6-[(2-fluoroanilino)methyl]-2-pyridinyl]methyl]aniline is Fc1ccccc1NCc1cccc(CNc2ccccc2F)n1.
What is the InChIKey of 2-fluoro-N-[[6-[(2-fluoroanilino)methyl]-2-pyridinyl]methyl]aniline?
The InChIKey is HUOMRUARVYTRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3/c20-16-8-1-3-10-18(16)22-12-14-6-5-7-15(24-14)13-23-19-11-4-2-9-17(19)21/h1-11,22-23H,12-13H2.
What are the key properties of 2-fluoro-N-[[6-[(2-fluoroanilino)methyl]-2-pyridinyl]methyl]aniline?
2-fluoro-N-[[6-[(2-fluoroanilino)methyl]-2-pyridinyl]methyl]aniline has a molecular weight of 325.36 g/mol, XLogP of 4.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[6-[(2-fluoroanilino)methyl]-2-pyridinyl]methyl]aniline is sourced from PubChem (CID 134153797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).