N-[[4-(anilinomethyl)phenyl]methyl]aniline

C20H20N2 — CID 607368

IUPACN-[[4-(anilinomethyl)phenyl]methyl]aniline
SMILESc1ccc(NCc2ccc(CNc3ccccc3)cc2)cc1
InChIInChI=1S/C20H20N2/c1-3-7-19(8-4-1)21-15-17-11-13-18(14-12-17)16-22-20-9-5-2-6-10-20/h1-14,21-22H,15-16H2
InChIKeyDXWQPWMYKQYRDS-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.91
Rot. Bonds6

About N-[[4-(anilinomethyl)phenyl]methyl]aniline

N-[[4-(anilinomethyl)phenyl]methyl]aniline (PubChem CID 607368) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[[4-(anilinomethyl)phenyl]methyl]aniline.

Molecular Properties

Compound NameN-[[4-(anilinomethyl)phenyl]methyl]aniline
PubChem CID607368
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC NameN-[[4-(anilinomethyl)phenyl]methyl]aniline
SMILESc1ccc(NCc2ccc(CNc3ccccc3)cc2)cc1
InChIInChI=1S/C20H20N2/c1-3-7-19(8-4-1)21-15-17-11-13-18(14-12-17)16-22-20-9-5-2-6-10-20/h1-14,21-22H,15-16H2
InChIKeyDXWQPWMYKQYRDS-UHFFFAOYSA-N
XLogP4.91
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(anilinomethyl)phenyl]methyl]aniline?
The IUPAC name of N-[[4-(anilinomethyl)phenyl]methyl]aniline (CID 607368) is N-[[4-(anilinomethyl)phenyl]methyl]aniline.
What is the SMILES notation for N-[[4-(anilinomethyl)phenyl]methyl]aniline?
The canonical SMILES for N-[[4-(anilinomethyl)phenyl]methyl]aniline is c1ccc(NCc2ccc(CNc3ccccc3)cc2)cc1.
What is the InChIKey of N-[[4-(anilinomethyl)phenyl]methyl]aniline?
The InChIKey is DXWQPWMYKQYRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2/c1-3-7-19(8-4-1)21-15-17-11-13-18(14-12-17)16-22-20-9-5-2-6-10-20/h1-14,21-22H,15-16H2.
What are the key properties of N-[[4-(anilinomethyl)phenyl]methyl]aniline?
N-[[4-(anilinomethyl)phenyl]methyl]aniline has a molecular weight of 288.39 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(anilinomethyl)phenyl]methyl]aniline is sourced from PubChem (CID 607368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).