4-[2-(4-aminophenyl)-3-propan-2-yl-6-(4-propan-2-ylphenyl)phenyl]aniline

C30H32N2 — CID 67928645

IUPAC4-[2-(4-aminophenyl)-3-propan-2-yl-6-(4-propan-2-ylphenyl)phenyl]aniline
SMILESCC(C)c1ccc(-c2ccc(C(C)C)c(-c3ccc(N)cc3)c2-c2ccc(N)cc2)cc1
InChIInChI=1S/C30H32N2/c1-19(2)21-5-7-22(8-6-21)28-18-17-27(20(3)4)29(23-9-13-25(31)14-10-23)30(28)24-11-15-26(32)16-12-24/h5-20H,31-32H2,1-4H3
InChIKeyIFFGKRQDLXRKNE-UHFFFAOYSA-N
MW420.60 g/mol
LogP8.10
Rot. Bonds5

About 4-[2-(4-aminophenyl)-3-propan-2-yl-6-(4-propan-2-ylphenyl)phenyl]aniline

4-[2-(4-aminophenyl)-3-propan-2-yl-6-(4-propan-2-ylphenyl)phenyl]aniline (PubChem CID 67928645) has the molecular formula C30H32N2 and a molecular weight of 420.60 g/mol. Its IUPAC name is 4-[2-(4-aminophenyl)-3-propan-2-yl-6-(4-propan-2-ylphenyl)phenyl]aniline.

Molecular Properties

Compound Name4-[2-(4-aminophenyl)-3-propan-2-yl-6-(4-propan-2-ylphenyl)phenyl]aniline
PubChem CID67928645
Molecular FormulaC30H32N2
Molecular Weight420.60 g/mol
Exact Mass420.26
IUPAC Name4-[2-(4-aminophenyl)-3-propan-2-yl-6-(4-propan-2-ylphenyl)phenyl]aniline
SMILESCC(C)c1ccc(-c2ccc(C(C)C)c(-c3ccc(N)cc3)c2-c2ccc(N)cc2)cc1
InChIInChI=1S/C30H32N2/c1-19(2)21-5-7-22(8-6-21)28-18-17-27(20(3)4)29(23-9-13-25(31)14-10-23)30(28)24-11-15-26(32)16-12-24/h5-20H,31-32H2,1-4H3
InChIKeyIFFGKRQDLXRKNE-UHFFFAOYSA-N
XLogP8.10
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.60
LogP ≤ 58.10
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)-3-propan-2-yl-6-(4-propan-2-ylphenyl)phenyl]aniline?
The IUPAC name of 4-[2-(4-aminophenyl)-3-propan-2-yl-6-(4-propan-2-ylphenyl)phenyl]aniline (CID 67928645) is 4-[2-(4-aminophenyl)-3-propan-2-yl-6-(4-propan-2-ylphenyl)phenyl]aniline.
What is the SMILES notation for 4-[2-(4-aminophenyl)-3-propan-2-yl-6-(4-propan-2-ylphenyl)phenyl]aniline?
The canonical SMILES for 4-[2-(4-aminophenyl)-3-propan-2-yl-6-(4-propan-2-ylphenyl)phenyl]aniline is CC(C)c1ccc(-c2ccc(C(C)C)c(-c3ccc(N)cc3)c2-c2ccc(N)cc2)cc1.
What is the InChIKey of 4-[2-(4-aminophenyl)-3-propan-2-yl-6-(4-propan-2-ylphenyl)phenyl]aniline?
The InChIKey is IFFGKRQDLXRKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2/c1-19(2)21-5-7-22(8-6-21)28-18-17-27(20(3)4)29(23-9-13-25(31)14-10-23)30(28)24-11-15-26(32)16-12-24/h5-20H,31-32H2,1-4H3.
What are the key properties of 4-[2-(4-aminophenyl)-3-propan-2-yl-6-(4-propan-2-ylphenyl)phenyl]aniline?
4-[2-(4-aminophenyl)-3-propan-2-yl-6-(4-propan-2-ylphenyl)phenyl]aniline has a molecular weight of 420.60 g/mol, XLogP of 8.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-aminophenyl)-3-propan-2-yl-6-(4-propan-2-ylphenyl)phenyl]aniline is sourced from PubChem (CID 67928645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).