N-[[4-(anilinomethyl)-2,3,5,6-tetramethylphenyl]methyl]aniline

C24H28N2 — CID 23656445

IUPACN-[[4-(anilinomethyl)-2,3,5,6-tetramethylphenyl]methyl]aniline
SMILESCc1c(C)c(CNc2ccccc2)c(C)c(C)c1CNc1ccccc1
InChIInChI=1S/C24H28N2/c1-17-18(2)24(16-26-22-13-9-6-10-14-22)20(4)19(3)23(17)15-25-21-11-7-5-8-12-21/h5-14,25-26H,15-16H2,1-4H3
InChIKeyPQFJPYAXFPDZSZ-UHFFFAOYSA-N
MW344.50 g/mol
LogP6.14
Rot. Bonds6

About N-[[4-(anilinomethyl)-2,3,5,6-tetramethylphenyl]methyl]aniline

N-[[4-(anilinomethyl)-2,3,5,6-tetramethylphenyl]methyl]aniline (PubChem CID 23656445) has the molecular formula C24H28N2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-[[4-(anilinomethyl)-2,3,5,6-tetramethylphenyl]methyl]aniline.

Molecular Properties

Compound NameN-[[4-(anilinomethyl)-2,3,5,6-tetramethylphenyl]methyl]aniline
PubChem CID23656445
Molecular FormulaC24H28N2
Molecular Weight344.50 g/mol
Exact Mass344.23
IUPAC NameN-[[4-(anilinomethyl)-2,3,5,6-tetramethylphenyl]methyl]aniline
SMILESCc1c(C)c(CNc2ccccc2)c(C)c(C)c1CNc1ccccc1
InChIInChI=1S/C24H28N2/c1-17-18(2)24(16-26-22-13-9-6-10-14-22)20(4)19(3)23(17)15-25-21-11-7-5-8-12-21/h5-14,25-26H,15-16H2,1-4H3
InChIKeyPQFJPYAXFPDZSZ-UHFFFAOYSA-N
XLogP6.14
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(anilinomethyl)-2,3,5,6-tetramethylphenyl]methyl]aniline?
The IUPAC name of N-[[4-(anilinomethyl)-2,3,5,6-tetramethylphenyl]methyl]aniline (CID 23656445) is N-[[4-(anilinomethyl)-2,3,5,6-tetramethylphenyl]methyl]aniline.
What is the SMILES notation for N-[[4-(anilinomethyl)-2,3,5,6-tetramethylphenyl]methyl]aniline?
The canonical SMILES for N-[[4-(anilinomethyl)-2,3,5,6-tetramethylphenyl]methyl]aniline is Cc1c(C)c(CNc2ccccc2)c(C)c(C)c1CNc1ccccc1.
What is the InChIKey of N-[[4-(anilinomethyl)-2,3,5,6-tetramethylphenyl]methyl]aniline?
The InChIKey is PQFJPYAXFPDZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2/c1-17-18(2)24(16-26-22-13-9-6-10-14-22)20(4)19(3)23(17)15-25-21-11-7-5-8-12-21/h5-14,25-26H,15-16H2,1-4H3.
What are the key properties of N-[[4-(anilinomethyl)-2,3,5,6-tetramethylphenyl]methyl]aniline?
N-[[4-(anilinomethyl)-2,3,5,6-tetramethylphenyl]methyl]aniline has a molecular weight of 344.50 g/mol, XLogP of 6.14, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(anilinomethyl)-2,3,5,6-tetramethylphenyl]methyl]aniline is sourced from PubChem (CID 23656445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).