2,3,4-tritert-butyl-6-phenylaniline

C24H35N — CID 175575681

IUPAC2,3,4-tritert-butyl-6-phenylaniline
SMILESCC(C)(C)c1cc(-c2ccccc2)c(N)c(C(C)(C)C)c1C(C)(C)C
InChIInChI=1S/C24H35N/c1-22(2,3)18-15-17(16-13-11-10-12-14-16)21(25)20(24(7,8)9)19(18)23(4,5)6/h10-15H,25H2,1-9H3
InChIKeyQFXLNDAYTFDYSQ-UHFFFAOYSA-N
MW337.55 g/mol
LogP6.83
Rot. Bonds1

About 2,3,4-tritert-butyl-6-phenylaniline

2,3,4-tritert-butyl-6-phenylaniline (PubChem CID 175575681) has the molecular formula C24H35N and a molecular weight of 337.55 g/mol. Its IUPAC name is 2,3,4-tritert-butyl-6-phenylaniline.

Molecular Properties

Compound Name2,3,4-tritert-butyl-6-phenylaniline
PubChem CID175575681
Molecular FormulaC24H35N
Molecular Weight337.55 g/mol
Exact Mass337.28
IUPAC Name2,3,4-tritert-butyl-6-phenylaniline
SMILESCC(C)(C)c1cc(-c2ccccc2)c(N)c(C(C)(C)C)c1C(C)(C)C
InChIInChI=1S/C24H35N/c1-22(2,3)18-15-17(16-13-11-10-12-14-16)21(25)20(24(7,8)9)19(18)23(4,5)6/h10-15H,25H2,1-9H3
InChIKeyQFXLNDAYTFDYSQ-UHFFFAOYSA-N
XLogP6.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.55
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-tritert-butyl-6-phenylaniline?
The IUPAC name of 2,3,4-tritert-butyl-6-phenylaniline (CID 175575681) is 2,3,4-tritert-butyl-6-phenylaniline.
What is the SMILES notation for 2,3,4-tritert-butyl-6-phenylaniline?
The canonical SMILES for 2,3,4-tritert-butyl-6-phenylaniline is CC(C)(C)c1cc(-c2ccccc2)c(N)c(C(C)(C)C)c1C(C)(C)C.
What is the InChIKey of 2,3,4-tritert-butyl-6-phenylaniline?
The InChIKey is QFXLNDAYTFDYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N/c1-22(2,3)18-15-17(16-13-11-10-12-14-16)21(25)20(24(7,8)9)19(18)23(4,5)6/h10-15H,25H2,1-9H3.
What are the key properties of 2,3,4-tritert-butyl-6-phenylaniline?
2,3,4-tritert-butyl-6-phenylaniline has a molecular weight of 337.55 g/mol, XLogP of 6.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-tritert-butyl-6-phenylaniline is sourced from PubChem (CID 175575681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).