4-fluoro-N-[[4-[(4-fluoroanilino)methyl]phenyl]methyl]aniline

C20H18F2N2 — CID 5218952

IUPAC4-fluoro-N-[[4-[(4-fluoroanilino)methyl]phenyl]methyl]aniline
SMILESFc1ccc(NCc2ccc(CNc3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C20H18F2N2/c21-17-5-9-19(10-6-17)23-13-15-1-2-16(4-3-15)14-24-20-11-7-18(22)8-12-20/h1-12,23-24H,13-14H2
InChIKeySUUDYWHTZUIYLO-UHFFFAOYSA-N
MW324.37 g/mol
LogP5.19
Rot. Bonds6

About 4-fluoro-N-[[4-[(4-fluoroanilino)methyl]phenyl]methyl]aniline

4-fluoro-N-[[4-[(4-fluoroanilino)methyl]phenyl]methyl]aniline (PubChem CID 5218952) has the molecular formula C20H18F2N2 and a molecular weight of 324.37 g/mol. Its IUPAC name is 4-fluoro-N-[[4-[(4-fluoroanilino)methyl]phenyl]methyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-[[4-[(4-fluoroanilino)methyl]phenyl]methyl]aniline
PubChem CID5218952
Molecular FormulaC20H18F2N2
Molecular Weight324.37 g/mol
Exact Mass324.14
IUPAC Name4-fluoro-N-[[4-[(4-fluoroanilino)methyl]phenyl]methyl]aniline
SMILESFc1ccc(NCc2ccc(CNc3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C20H18F2N2/c21-17-5-9-19(10-6-17)23-13-15-1-2-16(4-3-15)14-24-20-11-7-18(22)8-12-20/h1-12,23-24H,13-14H2
InChIKeySUUDYWHTZUIYLO-UHFFFAOYSA-N
XLogP5.19
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.37
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[4-[(4-fluoroanilino)methyl]phenyl]methyl]aniline?
The IUPAC name of 4-fluoro-N-[[4-[(4-fluoroanilino)methyl]phenyl]methyl]aniline (CID 5218952) is 4-fluoro-N-[[4-[(4-fluoroanilino)methyl]phenyl]methyl]aniline.
What is the SMILES notation for 4-fluoro-N-[[4-[(4-fluoroanilino)methyl]phenyl]methyl]aniline?
The canonical SMILES for 4-fluoro-N-[[4-[(4-fluoroanilino)methyl]phenyl]methyl]aniline is Fc1ccc(NCc2ccc(CNc3ccc(F)cc3)cc2)cc1.
What is the InChIKey of 4-fluoro-N-[[4-[(4-fluoroanilino)methyl]phenyl]methyl]aniline?
The InChIKey is SUUDYWHTZUIYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2/c21-17-5-9-19(10-6-17)23-13-15-1-2-16(4-3-15)14-24-20-11-7-18(22)8-12-20/h1-12,23-24H,13-14H2.
What are the key properties of 4-fluoro-N-[[4-[(4-fluoroanilino)methyl]phenyl]methyl]aniline?
4-fluoro-N-[[4-[(4-fluoroanilino)methyl]phenyl]methyl]aniline has a molecular weight of 324.37 g/mol, XLogP of 5.19, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[4-[(4-fluoroanilino)methyl]phenyl]methyl]aniline is sourced from PubChem (CID 5218952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).