3-fluoro-N-[[6-[(3-fluoroanilino)methyl]-3-pyridinyl]methyl]aniline

C19H17F2N3 — CID 134135695

IUPAC3-fluoro-N-[[6-[(3-fluoroanilino)methyl]-3-pyridinyl]methyl]aniline
SMILESFc1cccc(NCc2ccc(CNc3cccc(F)c3)nc2)c1
InChIInChI=1S/C19H17F2N3/c20-15-3-1-5-17(9-15)22-11-14-7-8-19(23-12-14)13-24-18-6-2-4-16(21)10-18/h1-10,12,22,24H,11,13H2
InChIKeyMVPZNKOEXQWDPX-UHFFFAOYSA-N
MW325.36 g/mol
LogP4.58
Rot. Bonds6

About 3-fluoro-N-[[6-[(3-fluoroanilino)methyl]-3-pyridinyl]methyl]aniline

3-fluoro-N-[[6-[(3-fluoroanilino)methyl]-3-pyridinyl]methyl]aniline (PubChem CID 134135695) has the molecular formula C19H17F2N3 and a molecular weight of 325.36 g/mol. Its IUPAC name is 3-fluoro-N-[[6-[(3-fluoroanilino)methyl]-3-pyridinyl]methyl]aniline.

Molecular Properties

Compound Name3-fluoro-N-[[6-[(3-fluoroanilino)methyl]-3-pyridinyl]methyl]aniline
PubChem CID134135695
Molecular FormulaC19H17F2N3
Molecular Weight325.36 g/mol
Exact Mass325.14
IUPAC Name3-fluoro-N-[[6-[(3-fluoroanilino)methyl]-3-pyridinyl]methyl]aniline
SMILESFc1cccc(NCc2ccc(CNc3cccc(F)c3)nc2)c1
InChIInChI=1S/C19H17F2N3/c20-15-3-1-5-17(9-15)22-11-14-7-8-19(23-12-14)13-24-18-6-2-4-16(21)10-18/h1-10,12,22,24H,11,13H2
InChIKeyMVPZNKOEXQWDPX-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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Related Compounds

Lanicemine
CID 9794203
2,3-Diphenylpyrazine
CID 243907
BC-1215
CID 72201045
(2-Phenylethyl)(3-pyridinylmethyl)amine hydrochloride
CID 201618
4-(Pyridin-2-yl)aniline
CID 459518
N-Desmethylpheniramine
CID 161283
N-Phenyl-2-pyridinemethanamine
CID 78027
N-(pyridin-3-ylmethyl)aniline
CID 1082702
2-Phenylpyridin-4-amine
CID 2762833
2-(2-Anilinoethyl)pyridine
CID 236796
(3-Triphenylmethylaminomethyl)pyridine
CID 24868317
1-N,1-N-dimethyl-4-N-(pyridin-2-ylmethyl)benzene-1,4-diamine
CID 39247144

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[6-[(3-fluoroanilino)methyl]-3-pyridinyl]methyl]aniline?
The IUPAC name of 3-fluoro-N-[[6-[(3-fluoroanilino)methyl]-3-pyridinyl]methyl]aniline (CID 134135695) is 3-fluoro-N-[[6-[(3-fluoroanilino)methyl]-3-pyridinyl]methyl]aniline.
What is the SMILES notation for 3-fluoro-N-[[6-[(3-fluoroanilino)methyl]-3-pyridinyl]methyl]aniline?
The canonical SMILES for 3-fluoro-N-[[6-[(3-fluoroanilino)methyl]-3-pyridinyl]methyl]aniline is Fc1cccc(NCc2ccc(CNc3cccc(F)c3)nc2)c1.
What is the InChIKey of 3-fluoro-N-[[6-[(3-fluoroanilino)methyl]-3-pyridinyl]methyl]aniline?
The InChIKey is MVPZNKOEXQWDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3/c20-15-3-1-5-17(9-15)22-11-14-7-8-19(23-12-14)13-24-18-6-2-4-16(21)10-18/h1-10,12,22,24H,11,13H2.
What are the key properties of 3-fluoro-N-[[6-[(3-fluoroanilino)methyl]-3-pyridinyl]methyl]aniline?
3-fluoro-N-[[6-[(3-fluoroanilino)methyl]-3-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 3-fluoro-N-[[6-[(3-fluoroanilino)methyl]-3-pyridinyl]methyl]aniline is sourced from PubChem (CID 134135695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).