2-methyl-3-[[methyl(pyridin-4-ylmethyl)amino]methyl]aniline

C15H19N3 — CID 43563884

IUPAC2-methyl-3-[[methyl(pyridin-4-ylmethyl)amino]methyl]aniline
SMILESCc1c(N)cccc1CN(C)Cc1ccncc1
InChIInChI=1S/C15H19N3/c1-12-14(4-3-5-15(12)16)11-18(2)10-13-6-8-17-9-7-13/h3-9H,10-11,16H2,1-2H3
InChIKeyGNYYZIFCOVWBAV-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.60
Rot. Bonds4

About 2-methyl-3-[[methyl(pyridin-4-ylmethyl)amino]methyl]aniline

2-methyl-3-[[methyl(pyridin-4-ylmethyl)amino]methyl]aniline (PubChem CID 43563884) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 2-methyl-3-[[methyl(pyridin-4-ylmethyl)amino]methyl]aniline.

Molecular Properties

Compound Name2-methyl-3-[[methyl(pyridin-4-ylmethyl)amino]methyl]aniline
PubChem CID43563884
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name2-methyl-3-[[methyl(pyridin-4-ylmethyl)amino]methyl]aniline
SMILESCc1c(N)cccc1CN(C)Cc1ccncc1
InChIInChI=1S/C15H19N3/c1-12-14(4-3-5-15(12)16)11-18(2)10-13-6-8-17-9-7-13/h3-9H,10-11,16H2,1-2H3
InChIKeyGNYYZIFCOVWBAV-UHFFFAOYSA-N
XLogP2.60
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[methyl(pyridin-4-ylmethyl)amino]methyl]aniline?
The IUPAC name of 2-methyl-3-[[methyl(pyridin-4-ylmethyl)amino]methyl]aniline (CID 43563884) is 2-methyl-3-[[methyl(pyridin-4-ylmethyl)amino]methyl]aniline.
What is the SMILES notation for 2-methyl-3-[[methyl(pyridin-4-ylmethyl)amino]methyl]aniline?
The canonical SMILES for 2-methyl-3-[[methyl(pyridin-4-ylmethyl)amino]methyl]aniline is Cc1c(N)cccc1CN(C)Cc1ccncc1.
What is the InChIKey of 2-methyl-3-[[methyl(pyridin-4-ylmethyl)amino]methyl]aniline?
The InChIKey is GNYYZIFCOVWBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-12-14(4-3-5-15(12)16)11-18(2)10-13-6-8-17-9-7-13/h3-9H,10-11,16H2,1-2H3.
What are the key properties of 2-methyl-3-[[methyl(pyridin-4-ylmethyl)amino]methyl]aniline?
2-methyl-3-[[methyl(pyridin-4-ylmethyl)amino]methyl]aniline has a molecular weight of 241.34 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[methyl(pyridin-4-ylmethyl)amino]methyl]aniline is sourced from PubChem (CID 43563884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).