N-(4-tert-butylphenyl)-N-methyl-4-phenylaniline

C23H25N — CID 70891344

IUPACN-(4-tert-butylphenyl)-N-methyl-4-phenylaniline
SMILESCN(c1ccc(-c2ccccc2)cc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H25N/c1-23(2,3)20-12-16-22(17-13-20)24(4)21-14-10-19(11-15-21)18-8-6-5-7-9-18/h5-17H,1-4H3
InChIKeyUOXCCLKXFDFEGX-UHFFFAOYSA-N
MW315.46 g/mol
LogP6.42
Rot. Bonds3

About N-(4-tert-butylphenyl)-N-methyl-4-phenylaniline

N-(4-tert-butylphenyl)-N-methyl-4-phenylaniline (PubChem CID 70891344) has the molecular formula C23H25N and a molecular weight of 315.46 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N-methyl-4-phenylaniline.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-N-methyl-4-phenylaniline
PubChem CID70891344
Molecular FormulaC23H25N
Molecular Weight315.46 g/mol
Exact Mass315.20
IUPAC NameN-(4-tert-butylphenyl)-N-methyl-4-phenylaniline
SMILESCN(c1ccc(-c2ccccc2)cc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H25N/c1-23(2,3)20-12-16-22(17-13-20)24(4)21-14-10-19(11-15-21)18-8-6-5-7-9-18/h5-17H,1-4H3
InChIKeyUOXCCLKXFDFEGX-UHFFFAOYSA-N
XLogP6.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.46
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N-methyl-4-phenylaniline?
The IUPAC name of N-(4-tert-butylphenyl)-N-methyl-4-phenylaniline (CID 70891344) is N-(4-tert-butylphenyl)-N-methyl-4-phenylaniline.
What is the SMILES notation for N-(4-tert-butylphenyl)-N-methyl-4-phenylaniline?
The canonical SMILES for N-(4-tert-butylphenyl)-N-methyl-4-phenylaniline is CN(c1ccc(-c2ccccc2)cc1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-N-methyl-4-phenylaniline?
The InChIKey is UOXCCLKXFDFEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N/c1-23(2,3)20-12-16-22(17-13-20)24(4)21-14-10-19(11-15-21)18-8-6-5-7-9-18/h5-17H,1-4H3.
What are the key properties of N-(4-tert-butylphenyl)-N-methyl-4-phenylaniline?
N-(4-tert-butylphenyl)-N-methyl-4-phenylaniline has a molecular weight of 315.46 g/mol, XLogP of 6.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-N-methyl-4-phenylaniline is sourced from PubChem (CID 70891344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).