2-[[4-(2-methylpropoxy)phenyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine

C19H23NO2 — CID 82228895

IUPAC2-[[4-(2-methylpropoxy)phenyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine
SMILESCC(C)COc1ccc(CC2CNc3ccccc3O2)cc1
InChIInChI=1S/C19H23NO2/c1-14(2)13-21-16-9-7-15(8-10-16)11-17-12-20-18-5-3-4-6-19(18)22-17/h3-10,14,17,20H,11-13H2,1-2H3
InChIKeyJXTCNMTWLNETPA-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.14
Rot. Bonds5

About 2-[[4-(2-methylpropoxy)phenyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine

2-[[4-(2-methylpropoxy)phenyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 82228895) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[[4-(2-methylpropoxy)phenyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name2-[[4-(2-methylpropoxy)phenyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID82228895
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name2-[[4-(2-methylpropoxy)phenyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine
SMILESCC(C)COc1ccc(CC2CNc3ccccc3O2)cc1
InChIInChI=1S/C19H23NO2/c1-14(2)13-21-16-9-7-15(8-10-16)11-17-12-20-18-5-3-4-6-19(18)22-17/h3-10,14,17,20H,11-13H2,1-2H3
InChIKeyJXTCNMTWLNETPA-UHFFFAOYSA-N
XLogP4.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[4-(2-methylpropoxy)phenyl]methyl]-3,4-dihydro-2H-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 2-[[4-(2-methylpropoxy)phenyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 2-[[4-(2-methylpropoxy)phenyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine (CID 82228895) is 2-[[4-(2-methylpropoxy)phenyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 2-[[4-(2-methylpropoxy)phenyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 2-[[4-(2-methylpropoxy)phenyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine is CC(C)COc1ccc(CC2CNc3ccccc3O2)cc1.
What is the InChIKey of 2-[[4-(2-methylpropoxy)phenyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is JXTCNMTWLNETPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-14(2)13-21-16-9-7-15(8-10-16)11-17-12-20-18-5-3-4-6-19(18)22-17/h3-10,14,17,20H,11-13H2,1-2H3.
What are the key properties of 2-[[4-(2-methylpropoxy)phenyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine?
2-[[4-(2-methylpropoxy)phenyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 297.40 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methylpropoxy)phenyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 82228895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).