2-[4-(2-amino-5-tert-butylphenyl)phenyl]-4-tert-butylaniline

C26H32N2 — CID 52936811

IUPAC2-[4-(2-amino-5-tert-butylphenyl)phenyl]-4-tert-butylaniline
SMILESCC(C)(C)c1ccc(N)c(-c2ccc(-c3cc(C(C)(C)C)ccc3N)cc2)c1
InChIInChI=1S/C26H32N2/c1-25(2,3)19-11-13-23(27)21(15-19)17-7-9-18(10-8-17)22-16-20(26(4,5)6)12-14-24(22)28/h7-16H,27-28H2,1-6H3
InChIKeyCCSAGNYTVIWPIQ-UHFFFAOYSA-N
MW372.56 g/mol
LogP6.78
Rot. Bonds2

About 2-[4-(2-amino-5-tert-butylphenyl)phenyl]-4-tert-butylaniline

2-[4-(2-amino-5-tert-butylphenyl)phenyl]-4-tert-butylaniline (PubChem CID 52936811) has the molecular formula C26H32N2 and a molecular weight of 372.56 g/mol. Its IUPAC name is 2-[4-(2-amino-5-tert-butylphenyl)phenyl]-4-tert-butylaniline.

Molecular Properties

Compound Name2-[4-(2-amino-5-tert-butylphenyl)phenyl]-4-tert-butylaniline
PubChem CID52936811
Molecular FormulaC26H32N2
Molecular Weight372.56 g/mol
Exact Mass372.26
IUPAC Name2-[4-(2-amino-5-tert-butylphenyl)phenyl]-4-tert-butylaniline
SMILESCC(C)(C)c1ccc(N)c(-c2ccc(-c3cc(C(C)(C)C)ccc3N)cc2)c1
InChIInChI=1S/C26H32N2/c1-25(2,3)19-11-13-23(27)21(15-19)17-7-9-18(10-8-17)22-16-20(26(4,5)6)12-14-24(22)28/h7-16H,27-28H2,1-6H3
InChIKeyCCSAGNYTVIWPIQ-UHFFFAOYSA-N
XLogP6.78
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.56
LogP ≤ 56.78
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 2-[4-(2-amino-5-tert-butylphenyl)phenyl]-4-tert-butylaniline?
The IUPAC name of 2-[4-(2-amino-5-tert-butylphenyl)phenyl]-4-tert-butylaniline (CID 52936811) is 2-[4-(2-amino-5-tert-butylphenyl)phenyl]-4-tert-butylaniline.
What is the SMILES notation for 2-[4-(2-amino-5-tert-butylphenyl)phenyl]-4-tert-butylaniline?
The canonical SMILES for 2-[4-(2-amino-5-tert-butylphenyl)phenyl]-4-tert-butylaniline is CC(C)(C)c1ccc(N)c(-c2ccc(-c3cc(C(C)(C)C)ccc3N)cc2)c1.
What is the InChIKey of 2-[4-(2-amino-5-tert-butylphenyl)phenyl]-4-tert-butylaniline?
The InChIKey is CCSAGNYTVIWPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2/c1-25(2,3)19-11-13-23(27)21(15-19)17-7-9-18(10-8-17)22-16-20(26(4,5)6)12-14-24(22)28/h7-16H,27-28H2,1-6H3.
What are the key properties of 2-[4-(2-amino-5-tert-butylphenyl)phenyl]-4-tert-butylaniline?
2-[4-(2-amino-5-tert-butylphenyl)phenyl]-4-tert-butylaniline has a molecular weight of 372.56 g/mol, XLogP of 6.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-5-tert-butylphenyl)phenyl]-4-tert-butylaniline is sourced from PubChem (CID 52936811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).