4-methyl-N-(4-methylphenyl)-N-[1-(4-phenylphenyl)ethyl]aniline

C28H27N — CID 173154873

IUPAC4-methyl-N-(4-methylphenyl)-N-[1-(4-phenylphenyl)ethyl]aniline
SMILESCc1ccc(N(c2ccc(C)cc2)C(C)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C28H27N/c1-21-9-17-27(18-10-21)29(28-19-11-22(2)12-20-28)23(3)24-13-15-26(16-14-24)25-7-5-4-6-8-25/h4-20,23H,1-3H3
InChIKeyCZUREXLLEUSSTH-UHFFFAOYSA-N
MW377.53 g/mol
LogP7.87
Rot. Bonds5

About 4-methyl-N-(4-methylphenyl)-N-[1-(4-phenylphenyl)ethyl]aniline

4-methyl-N-(4-methylphenyl)-N-[1-(4-phenylphenyl)ethyl]aniline (PubChem CID 173154873) has the molecular formula C28H27N and a molecular weight of 377.53 g/mol. Its IUPAC name is 4-methyl-N-(4-methylphenyl)-N-[1-(4-phenylphenyl)ethyl]aniline.

Molecular Properties

Compound Name4-methyl-N-(4-methylphenyl)-N-[1-(4-phenylphenyl)ethyl]aniline
PubChem CID173154873
Molecular FormulaC28H27N
Molecular Weight377.53 g/mol
Exact Mass377.21
IUPAC Name4-methyl-N-(4-methylphenyl)-N-[1-(4-phenylphenyl)ethyl]aniline
SMILESCc1ccc(N(c2ccc(C)cc2)C(C)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C28H27N/c1-21-9-17-27(18-10-21)29(28-19-11-22(2)12-20-28)23(3)24-13-15-26(16-14-24)25-7-5-4-6-8-25/h4-20,23H,1-3H3
InChIKeyCZUREXLLEUSSTH-UHFFFAOYSA-N
XLogP7.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.53
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methylphenyl)-N-[1-(4-phenylphenyl)ethyl]aniline?
The IUPAC name of 4-methyl-N-(4-methylphenyl)-N-[1-(4-phenylphenyl)ethyl]aniline (CID 173154873) is 4-methyl-N-(4-methylphenyl)-N-[1-(4-phenylphenyl)ethyl]aniline.
What is the SMILES notation for 4-methyl-N-(4-methylphenyl)-N-[1-(4-phenylphenyl)ethyl]aniline?
The canonical SMILES for 4-methyl-N-(4-methylphenyl)-N-[1-(4-phenylphenyl)ethyl]aniline is Cc1ccc(N(c2ccc(C)cc2)C(C)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 4-methyl-N-(4-methylphenyl)-N-[1-(4-phenylphenyl)ethyl]aniline?
The InChIKey is CZUREXLLEUSSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N/c1-21-9-17-27(18-10-21)29(28-19-11-22(2)12-20-28)23(3)24-13-15-26(16-14-24)25-7-5-4-6-8-25/h4-20,23H,1-3H3.
What are the key properties of 4-methyl-N-(4-methylphenyl)-N-[1-(4-phenylphenyl)ethyl]aniline?
4-methyl-N-(4-methylphenyl)-N-[1-(4-phenylphenyl)ethyl]aniline has a molecular weight of 377.53 g/mol, XLogP of 7.87, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-methylphenyl)-N-[1-(4-phenylphenyl)ethyl]aniline is sourced from PubChem (CID 173154873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).