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

C15H19N3O — CID 107208235

IUPAC3-methoxy-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline
SMILESCOc1cc(N)ccc1CN(C)Cc1ccccn1
InChIInChI=1S/C15H19N3O/c1-18(11-14-5-3-4-8-17-14)10-12-6-7-13(16)9-15(12)19-2/h3-9H,10-11,16H2,1-2H3
InChIKeyYAPBQXIRCORIQF-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.30
Rot. Bonds5

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

3-methoxy-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline (PubChem CID 107208235) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-methoxy-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline.

Molecular Properties

Compound Name3-methoxy-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline
PubChem CID107208235
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-methoxy-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline
SMILESCOc1cc(N)ccc1CN(C)Cc1ccccn1
InChIInChI=1S/C15H19N3O/c1-18(11-14-5-3-4-8-17-14)10-12-6-7-13(16)9-15(12)19-2/h3-9H,10-11,16H2,1-2H3
InChIKeyYAPBQXIRCORIQF-UHFFFAOYSA-N
XLogP2.30
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]aniline
CID 107208208
4-methoxy-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]aniline
CID 43247155
4-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline
CID 43458236
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
[4-methoxy-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]boronic acid
CID 65327432
4-amino-2-[[(2-methoxyphenyl)methyl-methylamino]methyl]phenol
CID 61419975
4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-3-methoxyaniline
CID 107208324
3-[[benzyl(methyl)amino]methyl]-4-methoxyaniline
CID 43247150
[4-fluoro-2-[[(2-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 64770076
2-[(2,4-dimethoxyphenyl)methyl-(pyridin-2-ylmethyl)amino]ethanol
CID 111116702
4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-3-methoxyaniline
CID 107208321

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline?
The IUPAC name of 3-methoxy-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline (CID 107208235) is 3-methoxy-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline.
What is the SMILES notation for 3-methoxy-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline?
The canonical SMILES for 3-methoxy-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline is COc1cc(N)ccc1CN(C)Cc1ccccn1.
What is the InChIKey of 3-methoxy-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline?
The InChIKey is YAPBQXIRCORIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-18(11-14-5-3-4-8-17-14)10-12-6-7-13(16)9-15(12)19-2/h3-9H,10-11,16H2,1-2H3.
What are the key properties of 3-methoxy-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline?
3-methoxy-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline has a molecular weight of 257.34 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline is sourced from PubChem (CID 107208235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).