6-[(4-methoxyanilino)methyl]pyridin-3-amine

C13H15N3O — CID 105486831

IUPAC6-[(4-methoxyanilino)methyl]pyridin-3-amine
SMILESCOc1ccc(NCc2ccc(N)cn2)cc1
InChIInChI=1S/C13H15N3O/c1-17-13-6-4-11(5-7-13)16-9-12-3-2-10(14)8-15-12/h2-8,16H,9,14H2,1H3
InChIKeyJVWREJBHBBJXLB-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.28
Rot. Bonds4

About 6-[(4-methoxyanilino)methyl]pyridin-3-amine

6-[(4-methoxyanilino)methyl]pyridin-3-amine (PubChem CID 105486831) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 6-[(4-methoxyanilino)methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-[(4-methoxyanilino)methyl]pyridin-3-amine
PubChem CID105486831
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name6-[(4-methoxyanilino)methyl]pyridin-3-amine
SMILESCOc1ccc(NCc2ccc(N)cn2)cc1
InChIInChI=1S/C13H15N3O/c1-17-13-6-4-11(5-7-13)16-9-12-3-2-10(14)8-15-12/h2-8,16H,9,14H2,1H3
InChIKeyJVWREJBHBBJXLB-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[[6-[(4-methoxyanilino)methyl]-2-pyridinyl]methyl]aniline
CID 23539990
6-[(2-methoxyanilino)methyl]pyridin-3-amine
CID 105486827
5-[(4-methoxyanilino)methyl]pyrimidine-2,4-diamine
CID 46888181
4-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60685427
4-methoxy-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62748569
N-[(2-chloropyrimidin-5-yl)methyl]-4-methoxyaniline
CID 167053365
6-(ethylaminomethyl)pyridin-3-amine
CID 79003622
4-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936317
4-methoxy-N-(thiadiazol-4-ylmethyl)aniline
CID 43663944
2-(5-amino-2-pyridinyl)-N-(3,5-dimethoxyphenyl)acetamide
CID 107337401
6-[[(1-methylpyrazol-3-yl)amino]methyl]pyridin-3-amine
CID 103568651
4-methoxy-N-(1,3-thiazol-5-ylmethyl)aniline
CID 62760158

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxyanilino)methyl]pyridin-3-amine?
The IUPAC name of 6-[(4-methoxyanilino)methyl]pyridin-3-amine (CID 105486831) is 6-[(4-methoxyanilino)methyl]pyridin-3-amine.
What is the SMILES notation for 6-[(4-methoxyanilino)methyl]pyridin-3-amine?
The canonical SMILES for 6-[(4-methoxyanilino)methyl]pyridin-3-amine is COc1ccc(NCc2ccc(N)cn2)cc1.
What is the InChIKey of 6-[(4-methoxyanilino)methyl]pyridin-3-amine?
The InChIKey is JVWREJBHBBJXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-17-13-6-4-11(5-7-13)16-9-12-3-2-10(14)8-15-12/h2-8,16H,9,14H2,1H3.
What are the key properties of 6-[(4-methoxyanilino)methyl]pyridin-3-amine?
6-[(4-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-[(4-methoxyanilino)methyl]pyridin-3-amine is sourced from PubChem (CID 105486831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).