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

C14H17N3 — CID 43458561

IUPAC2-[[methyl(pyridin-4-ylmethyl)amino]methyl]aniline
SMILESCN(Cc1ccncc1)Cc1ccccc1N
InChIInChI=1S/C14H17N3/c1-17(10-12-6-8-16-9-7-12)11-13-4-2-3-5-14(13)15/h2-9H,10-11,15H2,1H3
InChIKeyCUYRMODRZTVMHV-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.30
Rot. Bonds4

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

2-[[methyl(pyridin-4-ylmethyl)amino]methyl]aniline (PubChem CID 43458561) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-[[methyl(pyridin-4-ylmethyl)amino]methyl]aniline.

Molecular Properties

Compound Name2-[[methyl(pyridin-4-ylmethyl)amino]methyl]aniline
PubChem CID43458561
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name2-[[methyl(pyridin-4-ylmethyl)amino]methyl]aniline
SMILESCN(Cc1ccncc1)Cc1ccccc1N
InChIInChI=1S/C14H17N3/c1-17(10-12-6-8-16-9-7-12)11-13-4-2-3-5-14(13)15/h2-9H,10-11,15H2,1H3
InChIKeyCUYRMODRZTVMHV-UHFFFAOYSA-N
XLogP2.30
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[methyl(pyridin-4-ylmethyl)amino]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

Related Compounds

2-methyl-3-[[methyl(pyridin-4-ylmethyl)amino]methyl]aniline
CID 43563884
methyl 2-amino-6-[[methyl(pyridin-4-ylmethyl)amino]methyl]benzoate
CID 104824344
4-[[(2-aminophenyl)methyl-methylamino]methyl]benzamide
CID 43458582
N-[[2-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
CID 62432557
2-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline
CID 43383822
7-[[methyl(pyridin-4-ylmethyl)amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43563899
2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 43458546
2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]aniline
CID 43458604
2-[[methyl(2-phenylethyl)amino]methyl]aniline
CID 23507547
2-fluoro-3-[[methyl(pyridin-4-ylmethyl)amino]methyl]benzoic acid
CID 107119366
N-methyl-N-[[6-[[methyl(pyridin-4-ylmethyl)amino]methyl]-2-pyridinyl]methyl]-1-pyridin-4-ylmethanamine
CID 137379420
4-fluoro-2-[[methyl(2-pyridin-4-ylethyl)amino]methyl]aniline
CID 54945465

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(pyridin-4-ylmethyl)amino]methyl]aniline?
The IUPAC name of 2-[[methyl(pyridin-4-ylmethyl)amino]methyl]aniline (CID 43458561) is 2-[[methyl(pyridin-4-ylmethyl)amino]methyl]aniline.
What is the SMILES notation for 2-[[methyl(pyridin-4-ylmethyl)amino]methyl]aniline?
The canonical SMILES for 2-[[methyl(pyridin-4-ylmethyl)amino]methyl]aniline is CN(Cc1ccncc1)Cc1ccccc1N.
What is the InChIKey of 2-[[methyl(pyridin-4-ylmethyl)amino]methyl]aniline?
The InChIKey is CUYRMODRZTVMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-17(10-12-6-8-16-9-7-12)11-13-4-2-3-5-14(13)15/h2-9H,10-11,15H2,1H3.
What are the key properties of 2-[[methyl(pyridin-4-ylmethyl)amino]methyl]aniline?
2-[[methyl(pyridin-4-ylmethyl)amino]methyl]aniline has a molecular weight of 227.31 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(pyridin-4-ylmethyl)amino]methyl]aniline is sourced from PubChem (CID 43458561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).