4-[2-(4-aminophenyl)phenyl]-2,3-bis(trifluoromethyl)aniline

C20H14F6N2 — CID 154008592

IUPAC4-[2-(4-aminophenyl)phenyl]-2,3-bis(trifluoromethyl)aniline
SMILESNc1ccc(-c2ccccc2-c2ccc(N)c(C(F)(F)F)c2C(F)(F)F)cc1
InChIInChI=1S/C20H14F6N2/c21-19(22,23)17-15(9-10-16(28)18(17)20(24,25)26)14-4-2-1-3-13(14)11-5-7-12(27)8-6-11/h1-10H,27-28H2
InChIKeyFKRVXZXCMWMQPL-UHFFFAOYSA-N
MW396.33 g/mol
LogP6.22
Rot. Bonds2

About 4-[2-(4-aminophenyl)phenyl]-2,3-bis(trifluoromethyl)aniline

4-[2-(4-aminophenyl)phenyl]-2,3-bis(trifluoromethyl)aniline (PubChem CID 154008592) has the molecular formula C20H14F6N2 and a molecular weight of 396.33 g/mol. Its IUPAC name is 4-[2-(4-aminophenyl)phenyl]-2,3-bis(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-[2-(4-aminophenyl)phenyl]-2,3-bis(trifluoromethyl)aniline
PubChem CID154008592
Molecular FormulaC20H14F6N2
Molecular Weight396.33 g/mol
Exact Mass396.11
IUPAC Name4-[2-(4-aminophenyl)phenyl]-2,3-bis(trifluoromethyl)aniline
SMILESNc1ccc(-c2ccccc2-c2ccc(N)c(C(F)(F)F)c2C(F)(F)F)cc1
InChIInChI=1S/C20H14F6N2/c21-19(22,23)17-15(9-10-16(28)18(17)20(24,25)26)14-4-2-1-3-13(14)11-5-7-12(27)8-6-11/h1-10H,27-28H2
InChIKeyFKRVXZXCMWMQPL-UHFFFAOYSA-N
XLogP6.22
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.33
LogP ≤ 56.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-aminophenyl)phenyl]-2,3-bis(trifluoromethyl)aniline?
The IUPAC name of 4-[2-(4-aminophenyl)phenyl]-2,3-bis(trifluoromethyl)aniline (CID 154008592) is 4-[2-(4-aminophenyl)phenyl]-2,3-bis(trifluoromethyl)aniline.
What is the SMILES notation for 4-[2-(4-aminophenyl)phenyl]-2,3-bis(trifluoromethyl)aniline?
The canonical SMILES for 4-[2-(4-aminophenyl)phenyl]-2,3-bis(trifluoromethyl)aniline is Nc1ccc(-c2ccccc2-c2ccc(N)c(C(F)(F)F)c2C(F)(F)F)cc1.
What is the InChIKey of 4-[2-(4-aminophenyl)phenyl]-2,3-bis(trifluoromethyl)aniline?
The InChIKey is FKRVXZXCMWMQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F6N2/c21-19(22,23)17-15(9-10-16(28)18(17)20(24,25)26)14-4-2-1-3-13(14)11-5-7-12(27)8-6-11/h1-10H,27-28H2.
What are the key properties of 4-[2-(4-aminophenyl)phenyl]-2,3-bis(trifluoromethyl)aniline?
4-[2-(4-aminophenyl)phenyl]-2,3-bis(trifluoromethyl)aniline has a molecular weight of 396.33 g/mol, XLogP of 6.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-aminophenyl)phenyl]-2,3-bis(trifluoromethyl)aniline is sourced from PubChem (CID 154008592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).