3-[4-(4-aminophenyl)phenyl]-N-propan-2-ylaniline

C21H22N2 — CID 173380054

IUPAC3-[4-(4-aminophenyl)phenyl]-N-propan-2-ylaniline
SMILESCC(C)Nc1cccc(-c2ccc(-c3ccc(N)cc3)cc2)c1
InChIInChI=1S/C21H22N2/c1-15(2)23-21-5-3-4-19(14-21)18-8-6-16(7-9-18)17-10-12-20(22)13-11-17/h3-15,23H,22H2,1-2H3
InChIKeyYOZGRSKOKFFJOW-UHFFFAOYSA-N
MW302.42 g/mol
LogP5.42
Rot. Bonds4

About 3-[4-(4-aminophenyl)phenyl]-N-propan-2-ylaniline

3-[4-(4-aminophenyl)phenyl]-N-propan-2-ylaniline (PubChem CID 173380054) has the molecular formula C21H22N2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 3-[4-(4-aminophenyl)phenyl]-N-propan-2-ylaniline.

Molecular Properties

Compound Name3-[4-(4-aminophenyl)phenyl]-N-propan-2-ylaniline
PubChem CID173380054
Molecular FormulaC21H22N2
Molecular Weight302.42 g/mol
Exact Mass302.18
IUPAC Name3-[4-(4-aminophenyl)phenyl]-N-propan-2-ylaniline
SMILESCC(C)Nc1cccc(-c2ccc(-c3ccc(N)cc3)cc2)c1
InChIInChI=1S/C21H22N2/c1-15(2)23-21-5-3-4-19(14-21)18-8-6-16(7-9-18)17-10-12-20(22)13-11-17/h3-15,23H,22H2,1-2H3
InChIKeyYOZGRSKOKFFJOW-UHFFFAOYSA-N
XLogP5.42
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.42
LogP ≤ 55.42
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-(4-aminophenyl)phenyl]-N-propan-2-ylaniline?
The IUPAC name of 3-[4-(4-aminophenyl)phenyl]-N-propan-2-ylaniline (CID 173380054) is 3-[4-(4-aminophenyl)phenyl]-N-propan-2-ylaniline.
What is the SMILES notation for 3-[4-(4-aminophenyl)phenyl]-N-propan-2-ylaniline?
The canonical SMILES for 3-[4-(4-aminophenyl)phenyl]-N-propan-2-ylaniline is CC(C)Nc1cccc(-c2ccc(-c3ccc(N)cc3)cc2)c1.
What is the InChIKey of 3-[4-(4-aminophenyl)phenyl]-N-propan-2-ylaniline?
The InChIKey is YOZGRSKOKFFJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2/c1-15(2)23-21-5-3-4-19(14-21)18-8-6-16(7-9-18)17-10-12-20(22)13-11-17/h3-15,23H,22H2,1-2H3.
What are the key properties of 3-[4-(4-aminophenyl)phenyl]-N-propan-2-ylaniline?
3-[4-(4-aminophenyl)phenyl]-N-propan-2-ylaniline has a molecular weight of 302.42 g/mol, XLogP of 5.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-aminophenyl)phenyl]-N-propan-2-ylaniline is sourced from PubChem (CID 173380054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).