4-[1-(4-aminophenyl)-1-(4-methylphenyl)ethyl]aniline

C21H22N2 — CID 2835771

IUPAC4-[1-(4-aminophenyl)-1-(4-methylphenyl)ethyl]aniline
SMILESCc1ccc(C(C)(c2ccc(N)cc2)c2ccc(N)cc2)cc1
InChIInChI=1S/C21H22N2/c1-15-3-5-16(6-4-15)21(2,17-7-11-19(22)12-8-17)18-9-13-20(23)14-10-18/h3-14H,22-23H2,1-2H3
InChIKeyOBPSZKFMMZUWFD-UHFFFAOYSA-N
MW302.42 g/mol
LogP4.51
Rot. Bonds3

About 4-[1-(4-aminophenyl)-1-(4-methylphenyl)ethyl]aniline

4-[1-(4-aminophenyl)-1-(4-methylphenyl)ethyl]aniline (PubChem CID 2835771) has the molecular formula C21H22N2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 4-[1-(4-aminophenyl)-1-(4-methylphenyl)ethyl]aniline.

Molecular Properties

Compound Name4-[1-(4-aminophenyl)-1-(4-methylphenyl)ethyl]aniline
PubChem CID2835771
Molecular FormulaC21H22N2
Molecular Weight302.42 g/mol
Exact Mass302.18
IUPAC Name4-[1-(4-aminophenyl)-1-(4-methylphenyl)ethyl]aniline
SMILESCc1ccc(C(C)(c2ccc(N)cc2)c2ccc(N)cc2)cc1
InChIInChI=1S/C21H22N2/c1-15-3-5-16(6-4-15)21(2,17-7-11-19(22)12-8-17)18-9-13-20(23)14-10-18/h3-14H,22-23H2,1-2H3
InChIKeyOBPSZKFMMZUWFD-UHFFFAOYSA-N
XLogP4.51
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-aminophenyl)-1-(4-methylphenyl)ethyl]aniline?
The IUPAC name of 4-[1-(4-aminophenyl)-1-(4-methylphenyl)ethyl]aniline (CID 2835771) is 4-[1-(4-aminophenyl)-1-(4-methylphenyl)ethyl]aniline.
What is the SMILES notation for 4-[1-(4-aminophenyl)-1-(4-methylphenyl)ethyl]aniline?
The canonical SMILES for 4-[1-(4-aminophenyl)-1-(4-methylphenyl)ethyl]aniline is Cc1ccc(C(C)(c2ccc(N)cc2)c2ccc(N)cc2)cc1.
What is the InChIKey of 4-[1-(4-aminophenyl)-1-(4-methylphenyl)ethyl]aniline?
The InChIKey is OBPSZKFMMZUWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2/c1-15-3-5-16(6-4-15)21(2,17-7-11-19(22)12-8-17)18-9-13-20(23)14-10-18/h3-14H,22-23H2,1-2H3.
What are the key properties of 4-[1-(4-aminophenyl)-1-(4-methylphenyl)ethyl]aniline?
4-[1-(4-aminophenyl)-1-(4-methylphenyl)ethyl]aniline has a molecular weight of 302.42 g/mol, XLogP of 4.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-aminophenyl)-1-(4-methylphenyl)ethyl]aniline is sourced from PubChem (CID 2835771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).