6-methoxy-2-N-[2-(2-methylphenyl)ethyl]pyridine-2,3-diamine

C15H19N3O — CID 115320941

IUPAC6-methoxy-2-N-[2-(2-methylphenyl)ethyl]pyridine-2,3-diamine
SMILESCOc1ccc(N)c(NCCc2ccccc2C)n1
InChIInChI=1S/C15H19N3O/c1-11-5-3-4-6-12(11)9-10-17-15-13(16)7-8-14(18-15)19-2/h3-8H,9-10,16H2,1-2H3,(H,17,18)
InChIKeyZFWYNHAMTHAKBM-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.64
Rot. Bonds5

About 6-methoxy-2-N-[2-(2-methylphenyl)ethyl]pyridine-2,3-diamine

6-methoxy-2-N-[2-(2-methylphenyl)ethyl]pyridine-2,3-diamine (PubChem CID 115320941) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 6-methoxy-2-N-[2-(2-methylphenyl)ethyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name6-methoxy-2-N-[2-(2-methylphenyl)ethyl]pyridine-2,3-diamine
PubChem CID115320941
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name6-methoxy-2-N-[2-(2-methylphenyl)ethyl]pyridine-2,3-diamine
SMILESCOc1ccc(N)c(NCCc2ccccc2C)n1
InChIInChI=1S/C15H19N3O/c1-11-5-3-4-6-12(11)9-10-17-15-13(16)7-8-14(18-15)19-2/h3-8H,9-10,16H2,1-2H3,(H,17,18)
InChIKeyZFWYNHAMTHAKBM-UHFFFAOYSA-N
XLogP2.64
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-N-[2-(2-methylphenyl)ethyl]pyridine-2,3-diamine?
The IUPAC name of 6-methoxy-2-N-[2-(2-methylphenyl)ethyl]pyridine-2,3-diamine (CID 115320941) is 6-methoxy-2-N-[2-(2-methylphenyl)ethyl]pyridine-2,3-diamine.
What is the SMILES notation for 6-methoxy-2-N-[2-(2-methylphenyl)ethyl]pyridine-2,3-diamine?
The canonical SMILES for 6-methoxy-2-N-[2-(2-methylphenyl)ethyl]pyridine-2,3-diamine is COc1ccc(N)c(NCCc2ccccc2C)n1.
What is the InChIKey of 6-methoxy-2-N-[2-(2-methylphenyl)ethyl]pyridine-2,3-diamine?
The InChIKey is ZFWYNHAMTHAKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-5-3-4-6-12(11)9-10-17-15-13(16)7-8-14(18-15)19-2/h3-8H,9-10,16H2,1-2H3,(H,17,18).
What are the key properties of 6-methoxy-2-N-[2-(2-methylphenyl)ethyl]pyridine-2,3-diamine?
6-methoxy-2-N-[2-(2-methylphenyl)ethyl]pyridine-2,3-diamine has a molecular weight of 257.34 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-N-[2-(2-methylphenyl)ethyl]pyridine-2,3-diamine is sourced from PubChem (CID 115320941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).