N-[[6-(anilinomethyl)-2-pyridinyl]methyl]aniline

C19H19N3 — CID 21130249

IUPACN-[[6-(anilinomethyl)-2-pyridinyl]methyl]aniline
SMILESc1ccc(NCc2cccc(CNc3ccccc3)n2)cc1
InChIInChI=1S/C19H19N3/c1-3-8-16(9-4-1)20-14-18-12-7-13-19(22-18)15-21-17-10-5-2-6-11-17/h1-13,20-21H,14-15H2
InChIKeyQCMVVRQHKNADIZ-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.31
Rot. Bonds6

About N-[[6-(anilinomethyl)-2-pyridinyl]methyl]aniline

N-[[6-(anilinomethyl)-2-pyridinyl]methyl]aniline (PubChem CID 21130249) has the molecular formula C19H19N3 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[[6-(anilinomethyl)-2-pyridinyl]methyl]aniline.

Molecular Properties

Compound NameN-[[6-(anilinomethyl)-2-pyridinyl]methyl]aniline
PubChem CID21130249
Molecular FormulaC19H19N3
Molecular Weight289.38 g/mol
Exact Mass289.16
IUPAC NameN-[[6-(anilinomethyl)-2-pyridinyl]methyl]aniline
SMILESc1ccc(NCc2cccc(CNc3ccccc3)n2)cc1
InChIInChI=1S/C19H19N3/c1-3-8-16(9-4-1)20-14-18-12-7-13-19(22-18)15-21-17-10-5-2-6-11-17/h1-13,20-21H,14-15H2
InChIKeyQCMVVRQHKNADIZ-UHFFFAOYSA-N
XLogP4.31
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(anilinomethyl)-2-pyridinyl]methyl]aniline?
The IUPAC name of N-[[6-(anilinomethyl)-2-pyridinyl]methyl]aniline (CID 21130249) is N-[[6-(anilinomethyl)-2-pyridinyl]methyl]aniline.
What is the SMILES notation for N-[[6-(anilinomethyl)-2-pyridinyl]methyl]aniline?
The canonical SMILES for N-[[6-(anilinomethyl)-2-pyridinyl]methyl]aniline is c1ccc(NCc2cccc(CNc3ccccc3)n2)cc1.
What is the InChIKey of N-[[6-(anilinomethyl)-2-pyridinyl]methyl]aniline?
The InChIKey is QCMVVRQHKNADIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3/c1-3-8-16(9-4-1)20-14-18-12-7-13-19(22-18)15-21-17-10-5-2-6-11-17/h1-13,20-21H,14-15H2.
What are the key properties of N-[[6-(anilinomethyl)-2-pyridinyl]methyl]aniline?
N-[[6-(anilinomethyl)-2-pyridinyl]methyl]aniline has a molecular weight of 289.38 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(anilinomethyl)-2-pyridinyl]methyl]aniline is sourced from PubChem (CID 21130249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).