N-phenyl-4-(2-phenylpropan-2-yl)aniline

C21H21N — CID 3085677

IUPACN-phenyl-4-(2-phenylpropan-2-yl)aniline
SMILESCC(C)(c1ccccc1)c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C21H21N/c1-21(2,17-9-5-3-6-10-17)18-13-15-20(16-14-18)22-19-11-7-4-8-12-19/h3-16,22H,1-2H3
InChIKeyNWCCPBWXLZTMCX-UHFFFAOYSA-N
MW287.41 g/mol
LogP5.76
Rot. Bonds4

About N-phenyl-4-(2-phenylpropan-2-yl)aniline

N-phenyl-4-(2-phenylpropan-2-yl)aniline (PubChem CID 3085677) has the molecular formula C21H21N and a molecular weight of 287.41 g/mol. Its IUPAC name is N-phenyl-4-(2-phenylpropan-2-yl)aniline.

Molecular Properties

Compound NameN-phenyl-4-(2-phenylpropan-2-yl)aniline
PubChem CID3085677
Molecular FormulaC21H21N
Molecular Weight287.41 g/mol
Exact Mass287.17
IUPAC NameN-phenyl-4-(2-phenylpropan-2-yl)aniline
SMILESCC(C)(c1ccccc1)c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C21H21N/c1-21(2,17-9-5-3-6-10-17)18-13-15-20(16-14-18)22-19-11-7-4-8-12-19/h3-16,22H,1-2H3
InChIKeyNWCCPBWXLZTMCX-UHFFFAOYSA-N
XLogP5.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.41
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-(2-phenylpropan-2-yl)aniline?
The IUPAC name of N-phenyl-4-(2-phenylpropan-2-yl)aniline (CID 3085677) is N-phenyl-4-(2-phenylpropan-2-yl)aniline.
What is the SMILES notation for N-phenyl-4-(2-phenylpropan-2-yl)aniline?
The canonical SMILES for N-phenyl-4-(2-phenylpropan-2-yl)aniline is CC(C)(c1ccccc1)c1ccc(Nc2ccccc2)cc1.
What is the InChIKey of N-phenyl-4-(2-phenylpropan-2-yl)aniline?
The InChIKey is NWCCPBWXLZTMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N/c1-21(2,17-9-5-3-6-10-17)18-13-15-20(16-14-18)22-19-11-7-4-8-12-19/h3-16,22H,1-2H3.
What are the key properties of N-phenyl-4-(2-phenylpropan-2-yl)aniline?
N-phenyl-4-(2-phenylpropan-2-yl)aniline has a molecular weight of 287.41 g/mol, XLogP of 5.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-(2-phenylpropan-2-yl)aniline is sourced from PubChem (CID 3085677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).