4-fluoro-N-[[6-[(4-fluoroanilino)methyl]-2-pyridinyl]methyl]aniline

C19H17F2N3 — CID 134147171

IUPAC4-fluoro-N-[[6-[(4-fluoroanilino)methyl]-2-pyridinyl]methyl]aniline
SMILESFc1ccc(NCc2cccc(CNc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C19H17F2N3/c20-14-4-8-16(9-5-14)22-12-18-2-1-3-19(24-18)13-23-17-10-6-15(21)7-11-17/h1-11,22-23H,12-13H2
InChIKeyVVZOUBBCXHZQAC-UHFFFAOYSA-N
MW325.36 g/mol
LogP4.58
Rot. Bonds6

About 4-fluoro-N-[[6-[(4-fluoroanilino)methyl]-2-pyridinyl]methyl]aniline

4-fluoro-N-[[6-[(4-fluoroanilino)methyl]-2-pyridinyl]methyl]aniline (PubChem CID 134147171) has the molecular formula C19H17F2N3 and a molecular weight of 325.36 g/mol. Its IUPAC name is 4-fluoro-N-[[6-[(4-fluoroanilino)methyl]-2-pyridinyl]methyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-[[6-[(4-fluoroanilino)methyl]-2-pyridinyl]methyl]aniline
PubChem CID134147171
Molecular FormulaC19H17F2N3
Molecular Weight325.36 g/mol
Exact Mass325.14
IUPAC Name4-fluoro-N-[[6-[(4-fluoroanilino)methyl]-2-pyridinyl]methyl]aniline
SMILESFc1ccc(NCc2cccc(CNc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C19H17F2N3/c20-14-4-8-16(9-5-14)22-12-18-2-1-3-19(24-18)13-23-17-10-6-15(21)7-11-17/h1-11,22-23H,12-13H2
InChIKeyVVZOUBBCXHZQAC-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 4-fluoro-N-[[6-[(4-fluoroanilino)methyl]-2-pyridinyl]methyl]aniline?
The IUPAC name of 4-fluoro-N-[[6-[(4-fluoroanilino)methyl]-2-pyridinyl]methyl]aniline (CID 134147171) is 4-fluoro-N-[[6-[(4-fluoroanilino)methyl]-2-pyridinyl]methyl]aniline.
What is the SMILES notation for 4-fluoro-N-[[6-[(4-fluoroanilino)methyl]-2-pyridinyl]methyl]aniline?
The canonical SMILES for 4-fluoro-N-[[6-[(4-fluoroanilino)methyl]-2-pyridinyl]methyl]aniline is Fc1ccc(NCc2cccc(CNc3ccc(F)cc3)n2)cc1.
What is the InChIKey of 4-fluoro-N-[[6-[(4-fluoroanilino)methyl]-2-pyridinyl]methyl]aniline?
The InChIKey is VVZOUBBCXHZQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3/c20-14-4-8-16(9-5-14)22-12-18-2-1-3-19(24-18)13-23-17-10-6-15(21)7-11-17/h1-11,22-23H,12-13H2.
What are the key properties of 4-fluoro-N-[[6-[(4-fluoroanilino)methyl]-2-pyridinyl]methyl]aniline?
4-fluoro-N-[[6-[(4-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 4-fluoro-N-[[6-[(4-fluoroanilino)methyl]-2-pyridinyl]methyl]aniline is sourced from PubChem (CID 134147171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).