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

C30H33N3 — CID 122211714

IUPACN-[[3,5-bis(anilinomethyl)-2,4,6-trimethylphenyl]methyl]aniline
SMILESCc1c(CNc2ccccc2)c(C)c(CNc2ccccc2)c(C)c1CNc1ccccc1
InChIInChI=1S/C30H33N3/c1-22-28(19-31-25-13-7-4-8-14-25)23(2)30(21-33-27-17-11-6-12-18-27)24(3)29(22)20-32-26-15-9-5-10-16-26/h4-18,31-33H,19-21H2,1-3H3
InChIKeyAKBFUAPLAQSPMJ-UHFFFAOYSA-N
MW435.62 g/mol
LogP7.45
Rot. Bonds9

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

N-[[3,5-bis(anilinomethyl)-2,4,6-trimethylphenyl]methyl]aniline (PubChem CID 122211714) has the molecular formula C30H33N3 and a molecular weight of 435.62 g/mol. Its IUPAC name is N-[[3,5-bis(anilinomethyl)-2,4,6-trimethylphenyl]methyl]aniline.

Molecular Properties

Compound NameN-[[3,5-bis(anilinomethyl)-2,4,6-trimethylphenyl]methyl]aniline
PubChem CID122211714
Molecular FormulaC30H33N3
Molecular Weight435.62 g/mol
Exact Mass435.27
IUPAC NameN-[[3,5-bis(anilinomethyl)-2,4,6-trimethylphenyl]methyl]aniline
SMILESCc1c(CNc2ccccc2)c(C)c(CNc2ccccc2)c(C)c1CNc1ccccc1
InChIInChI=1S/C30H33N3/c1-22-28(19-31-25-13-7-4-8-14-25)23(2)30(21-33-27-17-11-6-12-18-27)24(3)29(22)20-32-26-15-9-5-10-16-26/h4-18,31-33H,19-21H2,1-3H3
InChIKeyAKBFUAPLAQSPMJ-UHFFFAOYSA-N
XLogP7.45
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.62
LogP ≤ 57.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[[3,5-bis(anilinomethyl)-2,4,6-trimethylphenyl]methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(anilinomethyl)-2,4,6-trimethylphenyl]methyl]aniline?
The IUPAC name of N-[[3,5-bis(anilinomethyl)-2,4,6-trimethylphenyl]methyl]aniline (CID 122211714) is N-[[3,5-bis(anilinomethyl)-2,4,6-trimethylphenyl]methyl]aniline.
What is the SMILES notation for N-[[3,5-bis(anilinomethyl)-2,4,6-trimethylphenyl]methyl]aniline?
The canonical SMILES for N-[[3,5-bis(anilinomethyl)-2,4,6-trimethylphenyl]methyl]aniline is Cc1c(CNc2ccccc2)c(C)c(CNc2ccccc2)c(C)c1CNc1ccccc1.
What is the InChIKey of N-[[3,5-bis(anilinomethyl)-2,4,6-trimethylphenyl]methyl]aniline?
The InChIKey is AKBFUAPLAQSPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3/c1-22-28(19-31-25-13-7-4-8-14-25)23(2)30(21-33-27-17-11-6-12-18-27)24(3)29(22)20-32-26-15-9-5-10-16-26/h4-18,31-33H,19-21H2,1-3H3.
What are the key properties of N-[[3,5-bis(anilinomethyl)-2,4,6-trimethylphenyl]methyl]aniline?
N-[[3,5-bis(anilinomethyl)-2,4,6-trimethylphenyl]methyl]aniline has a molecular weight of 435.62 g/mol, XLogP of 7.45, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-bis(anilinomethyl)-2,4,6-trimethylphenyl]methyl]aniline is sourced from PubChem (CID 122211714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).