6-[(4-methoxy-N-methylanilino)methyl]-N-methylpyridin-2-amine

C15H19N3O — CID 79243198

IUPAC6-[(4-methoxy-N-methylanilino)methyl]-N-methylpyridin-2-amine
SMILESCNc1cccc(CN(C)c2ccc(OC)cc2)n1
InChIInChI=1S/C15H19N3O/c1-16-15-6-4-5-12(17-15)11-18(2)13-7-9-14(19-3)10-8-13/h4-10H,11H2,1-3H3,(H,16,17)
InChIKeyRLSIRPXLOWWACT-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.77
Rot. Bonds5

About 6-[(4-methoxy-N-methylanilino)methyl]-N-methylpyridin-2-amine

6-[(4-methoxy-N-methylanilino)methyl]-N-methylpyridin-2-amine (PubChem CID 79243198) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 6-[(4-methoxy-N-methylanilino)methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name6-[(4-methoxy-N-methylanilino)methyl]-N-methylpyridin-2-amine
PubChem CID79243198
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name6-[(4-methoxy-N-methylanilino)methyl]-N-methylpyridin-2-amine
SMILESCNc1cccc(CN(C)c2ccc(OC)cc2)n1
InChIInChI=1S/C15H19N3O/c1-16-15-6-4-5-12(17-15)11-18(2)13-7-9-14(19-3)10-8-13/h4-10H,11H2,1-3H3,(H,16,17)
InChIKeyRLSIRPXLOWWACT-UHFFFAOYSA-N
XLogP2.77
TPSA37.39 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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxy-N-methylanilino)methyl]-N-methylpyridin-2-amine?
The IUPAC name of 6-[(4-methoxy-N-methylanilino)methyl]-N-methylpyridin-2-amine (CID 79243198) is 6-[(4-methoxy-N-methylanilino)methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 6-[(4-methoxy-N-methylanilino)methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 6-[(4-methoxy-N-methylanilino)methyl]-N-methylpyridin-2-amine is CNc1cccc(CN(C)c2ccc(OC)cc2)n1.
What is the InChIKey of 6-[(4-methoxy-N-methylanilino)methyl]-N-methylpyridin-2-amine?
The InChIKey is RLSIRPXLOWWACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-16-15-6-4-5-12(17-15)11-18(2)13-7-9-14(19-3)10-8-13/h4-10H,11H2,1-3H3,(H,16,17).
What are the key properties of 6-[(4-methoxy-N-methylanilino)methyl]-N-methylpyridin-2-amine?
6-[(4-methoxy-N-methylanilino)methyl]-N-methylpyridin-2-amine has a molecular weight of 257.34 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxy-N-methylanilino)methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 79243198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).