3-[4-(5-amino-2-propan-2-ylphenyl)phenyl]-4-propan-2-ylaniline

C24H28N2 — CID 23166060

IUPAC3-[4-(5-amino-2-propan-2-ylphenyl)phenyl]-4-propan-2-ylaniline
SMILESCC(C)c1ccc(N)cc1-c1ccc(-c2cc(N)ccc2C(C)C)cc1
InChIInChI=1S/C24H28N2/c1-15(2)21-11-9-19(25)13-23(21)17-5-7-18(8-6-17)24-14-20(26)10-12-22(24)16(3)4/h5-16H,25-26H2,1-4H3
InChIKeyCRSPSQVHXGQIPT-UHFFFAOYSA-N
MW344.50 g/mol
LogP6.43
Rot. Bonds4

About 3-[4-(5-amino-2-propan-2-ylphenyl)phenyl]-4-propan-2-ylaniline

3-[4-(5-amino-2-propan-2-ylphenyl)phenyl]-4-propan-2-ylaniline (PubChem CID 23166060) has the molecular formula C24H28N2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 3-[4-(5-amino-2-propan-2-ylphenyl)phenyl]-4-propan-2-ylaniline.

Molecular Properties

Compound Name3-[4-(5-amino-2-propan-2-ylphenyl)phenyl]-4-propan-2-ylaniline
PubChem CID23166060
Molecular FormulaC24H28N2
Molecular Weight344.50 g/mol
Exact Mass344.23
IUPAC Name3-[4-(5-amino-2-propan-2-ylphenyl)phenyl]-4-propan-2-ylaniline
SMILESCC(C)c1ccc(N)cc1-c1ccc(-c2cc(N)ccc2C(C)C)cc1
InChIInChI=1S/C24H28N2/c1-15(2)21-11-9-19(25)13-23(21)17-5-7-18(8-6-17)24-14-20(26)10-12-22(24)16(3)4/h5-16H,25-26H2,1-4H3
InChIKeyCRSPSQVHXGQIPT-UHFFFAOYSA-N
XLogP6.43
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 56.43
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 3-[4-(5-amino-2-propan-2-ylphenyl)phenyl]-4-propan-2-ylaniline?
The IUPAC name of 3-[4-(5-amino-2-propan-2-ylphenyl)phenyl]-4-propan-2-ylaniline (CID 23166060) is 3-[4-(5-amino-2-propan-2-ylphenyl)phenyl]-4-propan-2-ylaniline.
What is the SMILES notation for 3-[4-(5-amino-2-propan-2-ylphenyl)phenyl]-4-propan-2-ylaniline?
The canonical SMILES for 3-[4-(5-amino-2-propan-2-ylphenyl)phenyl]-4-propan-2-ylaniline is CC(C)c1ccc(N)cc1-c1ccc(-c2cc(N)ccc2C(C)C)cc1.
What is the InChIKey of 3-[4-(5-amino-2-propan-2-ylphenyl)phenyl]-4-propan-2-ylaniline?
The InChIKey is CRSPSQVHXGQIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2/c1-15(2)21-11-9-19(25)13-23(21)17-5-7-18(8-6-17)24-14-20(26)10-12-22(24)16(3)4/h5-16H,25-26H2,1-4H3.
What are the key properties of 3-[4-(5-amino-2-propan-2-ylphenyl)phenyl]-4-propan-2-ylaniline?
3-[4-(5-amino-2-propan-2-ylphenyl)phenyl]-4-propan-2-ylaniline has a molecular weight of 344.50 g/mol, XLogP of 6.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-amino-2-propan-2-ylphenyl)phenyl]-4-propan-2-ylaniline is sourced from PubChem (CID 23166060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).