2-[bis(4-fluorophenyl)methyl]naphthalen-1-amine

C23H17F2N — CID 141444204

IUPAC2-[bis(4-fluorophenyl)methyl]naphthalen-1-amine
SMILESNc1c(C(c2ccc(F)cc2)c2ccc(F)cc2)ccc2ccccc12
InChIInChI=1S/C23H17F2N/c24-18-10-5-16(6-11-18)22(17-7-12-19(25)13-8-17)21-14-9-15-3-1-2-4-20(15)23(21)26/h1-14,22H,26H2
InChIKeyVIJMBZXRMPEPOG-UHFFFAOYSA-N
MW345.39 g/mol
LogP5.88
Rot. Bonds3

About 2-[bis(4-fluorophenyl)methyl]naphthalen-1-amine

2-[bis(4-fluorophenyl)methyl]naphthalen-1-amine (PubChem CID 141444204) has the molecular formula C23H17F2N and a molecular weight of 345.39 g/mol. Its IUPAC name is 2-[bis(4-fluorophenyl)methyl]naphthalen-1-amine.

Molecular Properties

Compound Name2-[bis(4-fluorophenyl)methyl]naphthalen-1-amine
PubChem CID141444204
Molecular FormulaC23H17F2N
Molecular Weight345.39 g/mol
Exact Mass345.13
IUPAC Name2-[bis(4-fluorophenyl)methyl]naphthalen-1-amine
SMILESNc1c(C(c2ccc(F)cc2)c2ccc(F)cc2)ccc2ccccc12
InChIInChI=1S/C23H17F2N/c24-18-10-5-16(6-11-18)22(17-7-12-19(25)13-8-17)21-14-9-15-3-1-2-4-20(15)23(21)26/h1-14,22H,26H2
InChIKeyVIJMBZXRMPEPOG-UHFFFAOYSA-N
XLogP5.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.39
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 2-[bis(4-fluorophenyl)methyl]naphthalen-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-fluorophenyl)methyl]naphthalen-1-amine?
The IUPAC name of 2-[bis(4-fluorophenyl)methyl]naphthalen-1-amine (CID 141444204) is 2-[bis(4-fluorophenyl)methyl]naphthalen-1-amine.
What is the SMILES notation for 2-[bis(4-fluorophenyl)methyl]naphthalen-1-amine?
The canonical SMILES for 2-[bis(4-fluorophenyl)methyl]naphthalen-1-amine is Nc1c(C(c2ccc(F)cc2)c2ccc(F)cc2)ccc2ccccc12.
What is the InChIKey of 2-[bis(4-fluorophenyl)methyl]naphthalen-1-amine?
The InChIKey is VIJMBZXRMPEPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N/c24-18-10-5-16(6-11-18)22(17-7-12-19(25)13-8-17)21-14-9-15-3-1-2-4-20(15)23(21)26/h1-14,22H,26H2.
What are the key properties of 2-[bis(4-fluorophenyl)methyl]naphthalen-1-amine?
2-[bis(4-fluorophenyl)methyl]naphthalen-1-amine has a molecular weight of 345.39 g/mol, XLogP of 5.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-fluorophenyl)methyl]naphthalen-1-amine is sourced from PubChem (CID 141444204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).