2-[(4-bromophenyl)methylideneamino]-6-(trifluoromethyl)aniline

C14H10BrF3N2 — CID 68663087

IUPAC2-[(4-bromophenyl)methylideneamino]-6-(trifluoromethyl)aniline
SMILESNc1c(/N=C/c2ccc(Br)cc2)cccc1C(F)(F)F
InChIInChI=1S/C14H10BrF3N2/c15-10-6-4-9(5-7-10)8-20-12-3-1-2-11(13(12)19)14(16,17)18/h1-8H,19H2/b20-8+
InChIKeyXCUXMHOMZCOAGF-DNTJNYDQSA-N
MW343.15 g/mol
LogP4.80
Rot. Bonds2

About 2-[(4-bromophenyl)methylideneamino]-6-(trifluoromethyl)aniline

2-[(4-bromophenyl)methylideneamino]-6-(trifluoromethyl)aniline (PubChem CID 68663087) has the molecular formula C14H10BrF3N2 and a molecular weight of 343.15 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methylideneamino]-6-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-[(4-bromophenyl)methylideneamino]-6-(trifluoromethyl)aniline
PubChem CID68663087
Molecular FormulaC14H10BrF3N2
Molecular Weight343.15 g/mol
Exact Mass342.00
IUPAC Name2-[(4-bromophenyl)methylideneamino]-6-(trifluoromethyl)aniline
SMILESNc1c(/N=C/c2ccc(Br)cc2)cccc1C(F)(F)F
InChIInChI=1S/C14H10BrF3N2/c15-10-6-4-9(5-7-10)8-20-12-3-1-2-11(13(12)19)14(16,17)18/h1-8H,19H2/b20-8+
InChIKeyXCUXMHOMZCOAGF-DNTJNYDQSA-N
XLogP4.80
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.15
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methylideneamino]-6-(trifluoromethyl)aniline?
The IUPAC name of 2-[(4-bromophenyl)methylideneamino]-6-(trifluoromethyl)aniline (CID 68663087) is 2-[(4-bromophenyl)methylideneamino]-6-(trifluoromethyl)aniline.
What is the SMILES notation for 2-[(4-bromophenyl)methylideneamino]-6-(trifluoromethyl)aniline?
The canonical SMILES for 2-[(4-bromophenyl)methylideneamino]-6-(trifluoromethyl)aniline is Nc1c(/N=C/c2ccc(Br)cc2)cccc1C(F)(F)F.
What is the InChIKey of 2-[(4-bromophenyl)methylideneamino]-6-(trifluoromethyl)aniline?
The InChIKey is XCUXMHOMZCOAGF-DNTJNYDQSA-N. The full InChI is InChI=1S/C14H10BrF3N2/c15-10-6-4-9(5-7-10)8-20-12-3-1-2-11(13(12)19)14(16,17)18/h1-8H,19H2/b20-8+.
What are the key properties of 2-[(4-bromophenyl)methylideneamino]-6-(trifluoromethyl)aniline?
2-[(4-bromophenyl)methylideneamino]-6-(trifluoromethyl)aniline has a molecular weight of 343.15 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methylideneamino]-6-(trifluoromethyl)aniline is sourced from PubChem (CID 68663087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).