2-methyl-2-(3-pyridin-3-ylphenyl)-1,3-benzoxazin-4-amine

C20H17N3O — CID 71681316

IUPAC2-methyl-2-(3-pyridin-3-ylphenyl)-1,3-benzoxazin-4-amine
SMILESCC1(c2cccc(-c3cccnc3)c2)N=C(N)c2ccccc2O1
InChIInChI=1S/C20H17N3O/c1-20(23-19(21)17-9-2-3-10-18(17)24-20)16-8-4-6-14(12-16)15-7-5-11-22-13-15/h2-13H,1H3,(H2,21,23)
InChIKeyPTJBVABYDJDHNC-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.72
Rot. Bonds2

About 2-methyl-2-(3-pyridin-3-ylphenyl)-1,3-benzoxazin-4-amine

2-methyl-2-(3-pyridin-3-ylphenyl)-1,3-benzoxazin-4-amine (PubChem CID 71681316) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-methyl-2-(3-pyridin-3-ylphenyl)-1,3-benzoxazin-4-amine.

Molecular Properties

Compound Name2-methyl-2-(3-pyridin-3-ylphenyl)-1,3-benzoxazin-4-amine
PubChem CID71681316
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name2-methyl-2-(3-pyridin-3-ylphenyl)-1,3-benzoxazin-4-amine
SMILESCC1(c2cccc(-c3cccnc3)c2)N=C(N)c2ccccc2O1
InChIInChI=1S/C20H17N3O/c1-20(23-19(21)17-9-2-3-10-18(17)24-20)16-8-4-6-14(12-16)15-7-5-11-22-13-15/h2-13H,1H3,(H2,21,23)
InChIKeyPTJBVABYDJDHNC-UHFFFAOYSA-N
XLogP3.72
TPSA60.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-2-(3-pyridin-3-ylphenyl)-1,3-benzoxazin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-pyridin-3-ylphenyl)-1,3-benzoxazin-4-amine?
The IUPAC name of 2-methyl-2-(3-pyridin-3-ylphenyl)-1,3-benzoxazin-4-amine (CID 71681316) is 2-methyl-2-(3-pyridin-3-ylphenyl)-1,3-benzoxazin-4-amine.
What is the SMILES notation for 2-methyl-2-(3-pyridin-3-ylphenyl)-1,3-benzoxazin-4-amine?
The canonical SMILES for 2-methyl-2-(3-pyridin-3-ylphenyl)-1,3-benzoxazin-4-amine is CC1(c2cccc(-c3cccnc3)c2)N=C(N)c2ccccc2O1.
What is the InChIKey of 2-methyl-2-(3-pyridin-3-ylphenyl)-1,3-benzoxazin-4-amine?
The InChIKey is PTJBVABYDJDHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-20(23-19(21)17-9-2-3-10-18(17)24-20)16-8-4-6-14(12-16)15-7-5-11-22-13-15/h2-13H,1H3,(H2,21,23).
What are the key properties of 2-methyl-2-(3-pyridin-3-ylphenyl)-1,3-benzoxazin-4-amine?
2-methyl-2-(3-pyridin-3-ylphenyl)-1,3-benzoxazin-4-amine has a molecular weight of 315.38 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-pyridin-3-ylphenyl)-1,3-benzoxazin-4-amine is sourced from PubChem (CID 71681316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).