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

C22H23N — CID 130459887

IUPAC2-methyl-N-phenyl-N-(2-phenylpropan-2-yl)aniline
SMILESCc1ccccc1N(c1ccccc1)C(C)(C)c1ccccc1
InChIInChI=1S/C22H23N/c1-18-12-10-11-17-21(18)23(20-15-8-5-9-16-20)22(2,3)19-13-6-4-7-14-19/h4-17H,1-3H3
InChIKeyAHFPQMFVWHEECV-UHFFFAOYSA-N
MW301.43 g/mol
LogP6.07
Rot. Bonds4

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

2-methyl-N-phenyl-N-(2-phenylpropan-2-yl)aniline (PubChem CID 130459887) has the molecular formula C22H23N and a molecular weight of 301.43 g/mol. Its IUPAC name is 2-methyl-N-phenyl-N-(2-phenylpropan-2-yl)aniline.

Molecular Properties

Compound Name2-methyl-N-phenyl-N-(2-phenylpropan-2-yl)aniline
PubChem CID130459887
Molecular FormulaC22H23N
Molecular Weight301.43 g/mol
Exact Mass301.18
IUPAC Name2-methyl-N-phenyl-N-(2-phenylpropan-2-yl)aniline
SMILESCc1ccccc1N(c1ccccc1)C(C)(C)c1ccccc1
InChIInChI=1S/C22H23N/c1-18-12-10-11-17-21(18)23(20-15-8-5-9-16-20)22(2,3)19-13-6-4-7-14-19/h4-17H,1-3H3
InChIKeyAHFPQMFVWHEECV-UHFFFAOYSA-N
XLogP6.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.43
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-phenyl-N-(2-phenylpropan-2-yl)aniline?
The IUPAC name of 2-methyl-N-phenyl-N-(2-phenylpropan-2-yl)aniline (CID 130459887) is 2-methyl-N-phenyl-N-(2-phenylpropan-2-yl)aniline.
What is the SMILES notation for 2-methyl-N-phenyl-N-(2-phenylpropan-2-yl)aniline?
The canonical SMILES for 2-methyl-N-phenyl-N-(2-phenylpropan-2-yl)aniline is Cc1ccccc1N(c1ccccc1)C(C)(C)c1ccccc1.
What is the InChIKey of 2-methyl-N-phenyl-N-(2-phenylpropan-2-yl)aniline?
The InChIKey is AHFPQMFVWHEECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N/c1-18-12-10-11-17-21(18)23(20-15-8-5-9-16-20)22(2,3)19-13-6-4-7-14-19/h4-17H,1-3H3.
What are the key properties of 2-methyl-N-phenyl-N-(2-phenylpropan-2-yl)aniline?
2-methyl-N-phenyl-N-(2-phenylpropan-2-yl)aniline has a molecular weight of 301.43 g/mol, XLogP of 6.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-phenyl-N-(2-phenylpropan-2-yl)aniline is sourced from PubChem (CID 130459887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).