N-(4-fluorophenyl)-N-[3-(4-fluorophenyl)propyl]pyridin-4-amine

C20H18F2N2 — CID 57159857

IUPACN-(4-fluorophenyl)-N-[3-(4-fluorophenyl)propyl]pyridin-4-amine
SMILESFc1ccc(CCCN(c2ccncc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H18F2N2/c21-17-5-3-16(4-6-17)2-1-15-24(20-11-13-23-14-12-20)19-9-7-18(22)8-10-19/h3-14H,1-2,15H2
InChIKeyCLWGGPBNSYZIAO-UHFFFAOYSA-N
MW324.37 g/mol
LogP5.13
Rot. Bonds6

About N-(4-fluorophenyl)-N-[3-(4-fluorophenyl)propyl]pyridin-4-amine

N-(4-fluorophenyl)-N-[3-(4-fluorophenyl)propyl]pyridin-4-amine (PubChem CID 57159857) has the molecular formula C20H18F2N2 and a molecular weight of 324.37 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-[3-(4-fluorophenyl)propyl]pyridin-4-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-[3-(4-fluorophenyl)propyl]pyridin-4-amine
PubChem CID57159857
Molecular FormulaC20H18F2N2
Molecular Weight324.37 g/mol
Exact Mass324.14
IUPAC NameN-(4-fluorophenyl)-N-[3-(4-fluorophenyl)propyl]pyridin-4-amine
SMILESFc1ccc(CCCN(c2ccncc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H18F2N2/c21-17-5-3-16(4-6-17)2-1-15-24(20-11-13-23-14-12-20)19-9-7-18(22)8-10-19/h3-14H,1-2,15H2
InChIKeyCLWGGPBNSYZIAO-UHFFFAOYSA-N
XLogP5.13
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.37
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-[3-(4-fluorophenyl)propyl]pyridin-4-amine?
The IUPAC name of N-(4-fluorophenyl)-N-[3-(4-fluorophenyl)propyl]pyridin-4-amine (CID 57159857) is N-(4-fluorophenyl)-N-[3-(4-fluorophenyl)propyl]pyridin-4-amine.
What is the SMILES notation for N-(4-fluorophenyl)-N-[3-(4-fluorophenyl)propyl]pyridin-4-amine?
The canonical SMILES for N-(4-fluorophenyl)-N-[3-(4-fluorophenyl)propyl]pyridin-4-amine is Fc1ccc(CCCN(c2ccncc2)c2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N-[3-(4-fluorophenyl)propyl]pyridin-4-amine?
The InChIKey is CLWGGPBNSYZIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2/c21-17-5-3-16(4-6-17)2-1-15-24(20-11-13-23-14-12-20)19-9-7-18(22)8-10-19/h3-14H,1-2,15H2.
What are the key properties of N-(4-fluorophenyl)-N-[3-(4-fluorophenyl)propyl]pyridin-4-amine?
N-(4-fluorophenyl)-N-[3-(4-fluorophenyl)propyl]pyridin-4-amine has a molecular weight of 324.37 g/mol, XLogP of 5.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-[3-(4-fluorophenyl)propyl]pyridin-4-amine is sourced from PubChem (CID 57159857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).