6-[(2-methoxyanilino)methyl]pyridin-3-amine

C13H15N3O — CID 105486827

IUPAC6-[(2-methoxyanilino)methyl]pyridin-3-amine
SMILESCOc1ccccc1NCc1ccc(N)cn1
InChIInChI=1S/C13H15N3O/c1-17-13-5-3-2-4-12(13)16-9-11-7-6-10(14)8-15-11/h2-8,16H,9,14H2,1H3
InChIKeyADUXPRSZETVTEH-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.28
Rot. Bonds4

About 6-[(2-methoxyanilino)methyl]pyridin-3-amine

6-[(2-methoxyanilino)methyl]pyridin-3-amine (PubChem CID 105486827) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 6-[(2-methoxyanilino)methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-[(2-methoxyanilino)methyl]pyridin-3-amine
PubChem CID105486827
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name6-[(2-methoxyanilino)methyl]pyridin-3-amine
SMILESCOc1ccccc1NCc1ccc(N)cn1
InChIInChI=1S/C13H15N3O/c1-17-13-5-3-2-4-12(13)16-9-11-7-6-10(14)8-15-11/h2-8,16H,9,14H2,1H3
InChIKeyADUXPRSZETVTEH-UHFFFAOYSA-N
XLogP2.28
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-amino-2-pyridinyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 107337362
4-[(2-methoxyanilino)methyl]-1,3-thiazol-2-amine
CID 82476196
3-[(5-amino-2-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)propanamide
CID 43300904
2-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28780822
2-(difluoromethoxy)-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 81311383
6-[(2-propan-2-yloxyanilino)methyl]pyridin-3-ol
CID 79782862
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methoxyaniline
CID 54883557
6-(ethylaminomethyl)pyridin-3-amine
CID 79003622
N-[(2-ethylphenyl)methyl]-2-methoxyaniline
CID 62391032
6-[(2-methoxy-4-methylanilino)methyl]pyridin-3-ol
CID 79782889
6-[(2,4-dimethoxyanilino)methyl]pyridin-3-ol
CID 79775559
4-methoxy-3-(pyridin-2-ylmethylamino)benzamide
CID 43735349

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methoxyanilino)methyl]pyridin-3-amine?
The IUPAC name of 6-[(2-methoxyanilino)methyl]pyridin-3-amine (CID 105486827) is 6-[(2-methoxyanilino)methyl]pyridin-3-amine.
What is the SMILES notation for 6-[(2-methoxyanilino)methyl]pyridin-3-amine?
The canonical SMILES for 6-[(2-methoxyanilino)methyl]pyridin-3-amine is COc1ccccc1NCc1ccc(N)cn1.
What is the InChIKey of 6-[(2-methoxyanilino)methyl]pyridin-3-amine?
The InChIKey is ADUXPRSZETVTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-17-13-5-3-2-4-12(13)16-9-11-7-6-10(14)8-15-11/h2-8,16H,9,14H2,1H3.
What are the key properties of 6-[(2-methoxyanilino)methyl]pyridin-3-amine?
6-[(2-methoxyanilino)methyl]pyridin-3-amine has a molecular weight of 229.28 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methoxyanilino)methyl]pyridin-3-amine is sourced from PubChem (CID 105486827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).