2-[[(3,4-dimethoxy-2-pyridinyl)methyl-methylamino]methyl]aniline

C16H21N3O2 — CID 103173297

IUPAC2-[[(3,4-dimethoxy-2-pyridinyl)methyl-methylamino]methyl]aniline
SMILESCOc1ccnc(CN(C)Cc2ccccc2N)c1OC
InChIInChI=1S/C16H21N3O2/c1-19(10-12-6-4-5-7-13(12)17)11-14-16(21-3)15(20-2)8-9-18-14/h4-9H,10-11,17H2,1-3H3
InChIKeyCNBIHESEWCQYRX-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.31
Rot. Bonds6

About 2-[[(3,4-dimethoxy-2-pyridinyl)methyl-methylamino]methyl]aniline

2-[[(3,4-dimethoxy-2-pyridinyl)methyl-methylamino]methyl]aniline (PubChem CID 103173297) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[[(3,4-dimethoxy-2-pyridinyl)methyl-methylamino]methyl]aniline.

Molecular Properties

Compound Name2-[[(3,4-dimethoxy-2-pyridinyl)methyl-methylamino]methyl]aniline
PubChem CID103173297
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[[(3,4-dimethoxy-2-pyridinyl)methyl-methylamino]methyl]aniline
SMILESCOc1ccnc(CN(C)Cc2ccccc2N)c1OC
InChIInChI=1S/C16H21N3O2/c1-19(10-12-6-4-5-7-13(12)17)11-14-16(21-3)15(20-2)8-9-18-14/h4-9H,10-11,17H2,1-3H3
InChIKeyCNBIHESEWCQYRX-UHFFFAOYSA-N
XLogP2.31
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[(3,4-dimethoxy-2-pyridinyl)methyl-methylamino]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-[2-[(3,4-dimethoxy-2-pyridinyl)methoxy]ethyl]aniline
CID 103172005
2-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline
CID 103171960
1-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-N-methylbutane-1,3-diamine
CID 103174073
4-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-N-methylpyridine-3,4-diamine
CID 103173299
2-benzyl-3,4-dimethoxypyridine
CID 141149610
N'-[(3,4-dimethoxy-2-pyridinyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 103173267
2-[[methyl(pyridin-4-ylmethyl)amino]methyl]aniline
CID 43458561
2-(aminomethyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-N-methylcyclopentan-1-amine
CID 103173606
2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 43458546
2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]aniline
CID 43458604
2-(chloromethyl)-3,4-dimethoxypyridine
CID 5079722
N-[(3,4-dimethoxy-2-pyridinyl)methyl]aniline
CID 103172115

Frequently Asked Questions

What is the IUPAC name of 2-[[(3,4-dimethoxy-2-pyridinyl)methyl-methylamino]methyl]aniline?
The IUPAC name of 2-[[(3,4-dimethoxy-2-pyridinyl)methyl-methylamino]methyl]aniline (CID 103173297) is 2-[[(3,4-dimethoxy-2-pyridinyl)methyl-methylamino]methyl]aniline.
What is the SMILES notation for 2-[[(3,4-dimethoxy-2-pyridinyl)methyl-methylamino]methyl]aniline?
The canonical SMILES for 2-[[(3,4-dimethoxy-2-pyridinyl)methyl-methylamino]methyl]aniline is COc1ccnc(CN(C)Cc2ccccc2N)c1OC.
What is the InChIKey of 2-[[(3,4-dimethoxy-2-pyridinyl)methyl-methylamino]methyl]aniline?
The InChIKey is CNBIHESEWCQYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-19(10-12-6-4-5-7-13(12)17)11-14-16(21-3)15(20-2)8-9-18-14/h4-9H,10-11,17H2,1-3H3.
What are the key properties of 2-[[(3,4-dimethoxy-2-pyridinyl)methyl-methylamino]methyl]aniline?
2-[[(3,4-dimethoxy-2-pyridinyl)methyl-methylamino]methyl]aniline has a molecular weight of 287.36 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3,4-dimethoxy-2-pyridinyl)methyl-methylamino]methyl]aniline is sourced from PubChem (CID 103173297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).