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

C16H21N3O — CID 43564653

IUPAC2-[3-[methyl(pyridin-2-ylmethyl)amino]propoxy]aniline
SMILESCN(CCCOc1ccccc1N)Cc1ccccn1
InChIInChI=1S/C16H21N3O/c1-19(13-14-7-4-5-10-18-14)11-6-12-20-16-9-3-2-8-15(16)17/h2-5,7-10H,6,11-13,17H2,1H3
InChIKeyALILJLFMDXZLGK-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.56
Rot. Bonds7

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

2-[3-[methyl(pyridin-2-ylmethyl)amino]propoxy]aniline (PubChem CID 43564653) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[3-[methyl(pyridin-2-ylmethyl)amino]propoxy]aniline.

Molecular Properties

Compound Name2-[3-[methyl(pyridin-2-ylmethyl)amino]propoxy]aniline
PubChem CID43564653
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-[3-[methyl(pyridin-2-ylmethyl)amino]propoxy]aniline
SMILESCN(CCCOc1ccccc1N)Cc1ccccn1
InChIInChI=1S/C16H21N3O/c1-19(13-14-7-4-5-10-18-14)11-6-12-20-16-9-3-2-8-15(16)17/h2-5,7-10H,6,11-13,17H2,1H3
InChIKeyALILJLFMDXZLGK-UHFFFAOYSA-N
XLogP2.56
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3-[(2-methylpropan-2-yl)oxy]-N-(pyridin-2-ylmethyl)propan-1-amine
CID 59334325
2-[3-[(2-fluorophenyl)methyl-methylamino]propoxy]aniline
CID 43574984
2-[3-[methyl(pentyl)amino]propoxy]aniline
CID 43294418
1-[2-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxy]phenyl]ethanone
CID 62050829
2-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxy]benzonitrile
CID 43564981
4-[methyl(pyridin-2-ylmethyl)amino]butanethioamide
CID 43565021
6-[methyl(pyridin-2-ylmethyl)amino]hexan-3-one
CID 106801322
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
2-[3-[methyl(3-methylsulfanylpropyl)amino]propoxy]aniline
CID 114236527
2-[3-[methyl(3-methylbutyl)amino]propoxy]aniline
CID 61425855
2-[3-[methoxy(methyl)amino]propoxy]aniline
CID 43627567

Frequently Asked Questions

What is the IUPAC name of 2-[3-[methyl(pyridin-2-ylmethyl)amino]propoxy]aniline?
The IUPAC name of 2-[3-[methyl(pyridin-2-ylmethyl)amino]propoxy]aniline (CID 43564653) is 2-[3-[methyl(pyridin-2-ylmethyl)amino]propoxy]aniline.
What is the SMILES notation for 2-[3-[methyl(pyridin-2-ylmethyl)amino]propoxy]aniline?
The canonical SMILES for 2-[3-[methyl(pyridin-2-ylmethyl)amino]propoxy]aniline is CN(CCCOc1ccccc1N)Cc1ccccn1.
What is the InChIKey of 2-[3-[methyl(pyridin-2-ylmethyl)amino]propoxy]aniline?
The InChIKey is ALILJLFMDXZLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-19(13-14-7-4-5-10-18-14)11-6-12-20-16-9-3-2-8-15(16)17/h2-5,7-10H,6,11-13,17H2,1H3.
What are the key properties of 2-[3-[methyl(pyridin-2-ylmethyl)amino]propoxy]aniline?
2-[3-[methyl(pyridin-2-ylmethyl)amino]propoxy]aniline has a molecular weight of 271.36 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[methyl(pyridin-2-ylmethyl)amino]propoxy]aniline is sourced from PubChem (CID 43564653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).