4-[2-(4-aminophenyl)-1,3-diphenylpropan-2-yl]aniline

C27H26N2 — CID 23349378

IUPAC4-[2-(4-aminophenyl)-1,3-diphenylpropan-2-yl]aniline
SMILESNc1ccc(C(Cc2ccccc2)(Cc2ccccc2)c2ccc(N)cc2)cc1
InChIInChI=1S/C27H26N2/c28-25-15-11-23(12-16-25)27(19-21-7-3-1-4-8-21,20-22-9-5-2-6-10-22)24-13-17-26(29)18-14-24/h1-18H,19-20,28-29H2
InChIKeyXYMANVGZCMUNPK-UHFFFAOYSA-N
MW378.52 g/mol
LogP5.62
Rot. Bonds6

About 4-[2-(4-aminophenyl)-1,3-diphenylpropan-2-yl]aniline

4-[2-(4-aminophenyl)-1,3-diphenylpropan-2-yl]aniline (PubChem CID 23349378) has the molecular formula C27H26N2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 4-[2-(4-aminophenyl)-1,3-diphenylpropan-2-yl]aniline.

Molecular Properties

Compound Name4-[2-(4-aminophenyl)-1,3-diphenylpropan-2-yl]aniline
PubChem CID23349378
Molecular FormulaC27H26N2
Molecular Weight378.52 g/mol
Exact Mass378.21
IUPAC Name4-[2-(4-aminophenyl)-1,3-diphenylpropan-2-yl]aniline
SMILESNc1ccc(C(Cc2ccccc2)(Cc2ccccc2)c2ccc(N)cc2)cc1
InChIInChI=1S/C27H26N2/c28-25-15-11-23(12-16-25)27(19-21-7-3-1-4-8-21,20-22-9-5-2-6-10-22)24-13-17-26(29)18-14-24/h1-18H,19-20,28-29H2
InChIKeyXYMANVGZCMUNPK-UHFFFAOYSA-N
XLogP5.62
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 55.62
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-aminophenyl)-1,3-diphenylpropan-2-yl]aniline?
The IUPAC name of 4-[2-(4-aminophenyl)-1,3-diphenylpropan-2-yl]aniline (CID 23349378) is 4-[2-(4-aminophenyl)-1,3-diphenylpropan-2-yl]aniline.
What is the SMILES notation for 4-[2-(4-aminophenyl)-1,3-diphenylpropan-2-yl]aniline?
The canonical SMILES for 4-[2-(4-aminophenyl)-1,3-diphenylpropan-2-yl]aniline is Nc1ccc(C(Cc2ccccc2)(Cc2ccccc2)c2ccc(N)cc2)cc1.
What is the InChIKey of 4-[2-(4-aminophenyl)-1,3-diphenylpropan-2-yl]aniline?
The InChIKey is XYMANVGZCMUNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2/c28-25-15-11-23(12-16-25)27(19-21-7-3-1-4-8-21,20-22-9-5-2-6-10-22)24-13-17-26(29)18-14-24/h1-18H,19-20,28-29H2.
What are the key properties of 4-[2-(4-aminophenyl)-1,3-diphenylpropan-2-yl]aniline?
4-[2-(4-aminophenyl)-1,3-diphenylpropan-2-yl]aniline has a molecular weight of 378.52 g/mol, XLogP of 5.62, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-aminophenyl)-1,3-diphenylpropan-2-yl]aniline is sourced from PubChem (CID 23349378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).