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

C20H18F2N2 — CID 23656597

IUPAC2-fluoro-N-[[4-[(2-fluoroanilino)methyl]phenyl]methyl]aniline
SMILESFc1ccccc1NCc1ccc(CNc2ccccc2F)cc1
InChIInChI=1S/C20H18F2N2/c21-17-5-1-3-7-19(17)23-13-15-9-11-16(12-10-15)14-24-20-8-4-2-6-18(20)22/h1-12,23-24H,13-14H2
InChIKeyHXNHJZYVVQMGNN-UHFFFAOYSA-N
MW324.37 g/mol
LogP5.19
Rot. Bonds6

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

2-fluoro-N-[[4-[(2-fluoroanilino)methyl]phenyl]methyl]aniline (PubChem CID 23656597) has the molecular formula C20H18F2N2 and a molecular weight of 324.37 g/mol. Its IUPAC name is 2-fluoro-N-[[4-[(2-fluoroanilino)methyl]phenyl]methyl]aniline.

Molecular Properties

Compound Name2-fluoro-N-[[4-[(2-fluoroanilino)methyl]phenyl]methyl]aniline
PubChem CID23656597
Molecular FormulaC20H18F2N2
Molecular Weight324.37 g/mol
Exact Mass324.14
IUPAC Name2-fluoro-N-[[4-[(2-fluoroanilino)methyl]phenyl]methyl]aniline
SMILESFc1ccccc1NCc1ccc(CNc2ccccc2F)cc1
InChIInChI=1S/C20H18F2N2/c21-17-5-1-3-7-19(17)23-13-15-9-11-16(12-10-15)14-24-20-8-4-2-6-18(20)22/h1-12,23-24H,13-14H2
InChIKeyHXNHJZYVVQMGNN-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 2-fluoro-N-[[4-[(2-fluoroanilino)methyl]phenyl]methyl]aniline?
The IUPAC name of 2-fluoro-N-[[4-[(2-fluoroanilino)methyl]phenyl]methyl]aniline (CID 23656597) is 2-fluoro-N-[[4-[(2-fluoroanilino)methyl]phenyl]methyl]aniline.
What is the SMILES notation for 2-fluoro-N-[[4-[(2-fluoroanilino)methyl]phenyl]methyl]aniline?
The canonical SMILES for 2-fluoro-N-[[4-[(2-fluoroanilino)methyl]phenyl]methyl]aniline is Fc1ccccc1NCc1ccc(CNc2ccccc2F)cc1.
What is the InChIKey of 2-fluoro-N-[[4-[(2-fluoroanilino)methyl]phenyl]methyl]aniline?
The InChIKey is HXNHJZYVVQMGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2/c21-17-5-1-3-7-19(17)23-13-15-9-11-16(12-10-15)14-24-20-8-4-2-6-18(20)22/h1-12,23-24H,13-14H2.
What are the key properties of 2-fluoro-N-[[4-[(2-fluoroanilino)methyl]phenyl]methyl]aniline?
2-fluoro-N-[[4-[(2-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 2-fluoro-N-[[4-[(2-fluoroanilino)methyl]phenyl]methyl]aniline is sourced from PubChem (CID 23656597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).