2-methyl-4-(2,4,6-trimethylphenyl)-2,3-dihydro-1,4-benzoxazine

C18H21NO — CID 117007407

IUPAC2-methyl-4-(2,4,6-trimethylphenyl)-2,3-dihydro-1,4-benzoxazine
SMILESCc1cc(C)c(N2CC(C)Oc3ccccc32)c(C)c1
InChIInChI=1S/C18H21NO/c1-12-9-13(2)18(14(3)10-12)19-11-15(4)20-17-8-6-5-7-16(17)19/h5-10,15H,11H2,1-4H3
InChIKeyPDRHDAINOQNGJN-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.53
Rot. Bonds1

About 2-methyl-4-(2,4,6-trimethylphenyl)-2,3-dihydro-1,4-benzoxazine

2-methyl-4-(2,4,6-trimethylphenyl)-2,3-dihydro-1,4-benzoxazine (PubChem CID 117007407) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-methyl-4-(2,4,6-trimethylphenyl)-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name2-methyl-4-(2,4,6-trimethylphenyl)-2,3-dihydro-1,4-benzoxazine
PubChem CID117007407
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name2-methyl-4-(2,4,6-trimethylphenyl)-2,3-dihydro-1,4-benzoxazine
SMILESCc1cc(C)c(N2CC(C)Oc3ccccc32)c(C)c1
InChIInChI=1S/C18H21NO/c1-12-9-13(2)18(14(3)10-12)19-11-15(4)20-17-8-6-5-7-16(17)19/h5-10,15H,11H2,1-4H3
InChIKeyPDRHDAINOQNGJN-UHFFFAOYSA-N
XLogP4.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-4-(2,4,6-trimethylphenyl)-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

Related Compounds

2-methyl-4-phenyl-2,3-dihydro-1,4-benzoxazine
CID 19748849
1,3-bis(2,4,6-trimethylphenyl)-2H-benzimidazole
CID 66843107
4-(2-methoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine
CID 117007415
4-(3-fluorophenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine
CID 117007423
(2R)-2-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine
CID 95051819
(2R)-2,6-dimethyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine
CID 95051830
2-methyl-4-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazine
CID 117007387
2-chloro-1-(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 14880552
12-(2,4,6-trimethylphenyl)benzo[b]phenoxazine
CID 59573636
N-(5-chloro-2-methylphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 22521403
(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-piperidin-4-ylmethanone
CID 82274959
9-(2,4,6-trimethylphenyl)thieno[3,2-b][1,4]benzoxazine
CID 59573255

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2,4,6-trimethylphenyl)-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 2-methyl-4-(2,4,6-trimethylphenyl)-2,3-dihydro-1,4-benzoxazine (CID 117007407) is 2-methyl-4-(2,4,6-trimethylphenyl)-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 2-methyl-4-(2,4,6-trimethylphenyl)-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 2-methyl-4-(2,4,6-trimethylphenyl)-2,3-dihydro-1,4-benzoxazine is Cc1cc(C)c(N2CC(C)Oc3ccccc32)c(C)c1.
What is the InChIKey of 2-methyl-4-(2,4,6-trimethylphenyl)-2,3-dihydro-1,4-benzoxazine?
The InChIKey is PDRHDAINOQNGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-12-9-13(2)18(14(3)10-12)19-11-15(4)20-17-8-6-5-7-16(17)19/h5-10,15H,11H2,1-4H3.
What are the key properties of 2-methyl-4-(2,4,6-trimethylphenyl)-2,3-dihydro-1,4-benzoxazine?
2-methyl-4-(2,4,6-trimethylphenyl)-2,3-dihydro-1,4-benzoxazine has a molecular weight of 267.37 g/mol, XLogP of 4.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2,4,6-trimethylphenyl)-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 117007407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).