4-[2-(2,3-dimethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzoxazine

C18H21NO3 — CID 11403808

IUPAC4-[2-(2,3-dimethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzoxazine
SMILESCOc1cccc(CCN2CCOc3ccccc32)c1OC
InChIInChI=1S/C18H21NO3/c1-20-17-9-5-6-14(18(17)21-2)10-11-19-12-13-22-16-8-4-3-7-15(16)19/h3-9H,10-13H2,1-2H3
InChIKeyHFDVZTRBHDLNAH-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.15
Rot. Bonds5

About 4-[2-(2,3-dimethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzoxazine

4-[2-(2,3-dimethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzoxazine (PubChem CID 11403808) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-[2-(2,3-dimethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name4-[2-(2,3-dimethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzoxazine
PubChem CID11403808
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name4-[2-(2,3-dimethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzoxazine
SMILESCOc1cccc(CCN2CCOc3ccccc32)c1OC
InChIInChI=1S/C18H21NO3/c1-20-17-9-5-6-14(18(17)21-2)10-11-19-12-13-22-16-8-4-3-7-15(16)19/h3-9H,10-13H2,1-2H3
InChIKeyHFDVZTRBHDLNAH-UHFFFAOYSA-N
XLogP3.15
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[2-(2,3-dimethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzoxazine 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 4-[2-(2,3-dimethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 4-[2-(2,3-dimethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzoxazine (CID 11403808) is 4-[2-(2,3-dimethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 4-[2-(2,3-dimethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 4-[2-(2,3-dimethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzoxazine is COc1cccc(CCN2CCOc3ccccc32)c1OC.
What is the InChIKey of 4-[2-(2,3-dimethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzoxazine?
The InChIKey is HFDVZTRBHDLNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-20-17-9-5-6-14(18(17)21-2)10-11-19-12-13-22-16-8-4-3-7-15(16)19/h3-9H,10-13H2,1-2H3.
What are the key properties of 4-[2-(2,3-dimethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzoxazine?
4-[2-(2,3-dimethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzoxazine has a molecular weight of 299.37 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,3-dimethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 11403808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).