N-[1-(2-fluorophenyl)-2-phenylethyl]-1,1-diphenylmethanimine

C27H22FN — CID 102172374

IUPACN-[1-(2-fluorophenyl)-2-phenylethyl]-1,1-diphenylmethanimine
SMILESFc1ccccc1C(Cc1ccccc1)N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H22FN/c28-25-19-11-10-18-24(25)26(20-21-12-4-1-5-13-21)29-27(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-19,26H,20H2
InChIKeyNGRXQKQQNDQFFH-UHFFFAOYSA-N
MW379.48 g/mol
LogP6.65
Rot. Bonds6

About N-[1-(2-fluorophenyl)-2-phenylethyl]-1,1-diphenylmethanimine

N-[1-(2-fluorophenyl)-2-phenylethyl]-1,1-diphenylmethanimine (PubChem CID 102172374) has the molecular formula C27H22FN and a molecular weight of 379.48 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)-2-phenylethyl]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)-2-phenylethyl]-1,1-diphenylmethanimine
PubChem CID102172374
Molecular FormulaC27H22FN
Molecular Weight379.48 g/mol
Exact Mass379.17
IUPAC NameN-[1-(2-fluorophenyl)-2-phenylethyl]-1,1-diphenylmethanimine
SMILESFc1ccccc1C(Cc1ccccc1)N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H22FN/c28-25-19-11-10-18-24(25)26(20-21-12-4-1-5-13-21)29-27(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-19,26H,20H2
InChIKeyNGRXQKQQNDQFFH-UHFFFAOYSA-N
XLogP6.65
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.48
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)-2-phenylethyl]-1,1-diphenylmethanimine?
The IUPAC name of N-[1-(2-fluorophenyl)-2-phenylethyl]-1,1-diphenylmethanimine (CID 102172374) is N-[1-(2-fluorophenyl)-2-phenylethyl]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[1-(2-fluorophenyl)-2-phenylethyl]-1,1-diphenylmethanimine?
The canonical SMILES for N-[1-(2-fluorophenyl)-2-phenylethyl]-1,1-diphenylmethanimine is Fc1ccccc1C(Cc1ccccc1)N=C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[1-(2-fluorophenyl)-2-phenylethyl]-1,1-diphenylmethanimine?
The InChIKey is NGRXQKQQNDQFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FN/c28-25-19-11-10-18-24(25)26(20-21-12-4-1-5-13-21)29-27(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-19,26H,20H2.
What are the key properties of N-[1-(2-fluorophenyl)-2-phenylethyl]-1,1-diphenylmethanimine?
N-[1-(2-fluorophenyl)-2-phenylethyl]-1,1-diphenylmethanimine has a molecular weight of 379.48 g/mol, XLogP of 6.65, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)-2-phenylethyl]-1,1-diphenylmethanimine is sourced from PubChem (CID 102172374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).