6-(3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine

C15H15NO — CID 116817431

IUPAC6-(3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESCc1cccc(-c2ccc3c(c2)NCCO3)c1
InChIInChI=1S/C15H15NO/c1-11-3-2-4-12(9-11)13-5-6-15-14(10-13)16-7-8-17-15/h2-6,9-10,16H,7-8H2,1H3
InChIKeyVQOVVYOJVNSLAQ-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.47
Rot. Bonds1

About 6-(3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine

6-(3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 116817431) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 6-(3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name6-(3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID116817431
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name6-(3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESCc1cccc(-c2ccc3c(c2)NCCO3)c1
InChIInChI=1S/C15H15NO/c1-11-3-2-4-12(9-11)13-5-6-15-14(10-13)16-7-8-17-15/h2-6,9-10,16H,7-8H2,1H3
InChIKeyVQOVVYOJVNSLAQ-UHFFFAOYSA-N
XLogP3.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(3-methylphenyl)-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

Related Compounds

6-(4-nitrophenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116817464
6-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116817450
6-(2-phenyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazine
CID 82059333
6,7-dimethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 20571249
2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-[(4-methylphenyl)methyl]ethanamine
CID 82261464
3,4-dihydro-2H-benzo[g][1,4]benzoxazine
CID 83789533
2-methyl-6-(3-methylphenyl)-4H-1,4-benzoxazin-3-one
CID 117001112
6-[5-[(2-methyl-4H-azepin-7-yl)methyl]-2H-triazol-4-yl]-3,4-dihydro-2H-1,4-benzoxazine
CID 142830801
3,4-dihydro-2H-1,4-benzoxazin-6-ylmethanol
CID 12000271
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
methane;1-methyl-3-(4-methylphenyl)benzene
CID 158328523
1-methyl-3-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892418

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 6-(3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine (CID 116817431) is 6-(3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 6-(3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 6-(3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine is Cc1cccc(-c2ccc3c(c2)NCCO3)c1.
What is the InChIKey of 6-(3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is VQOVVYOJVNSLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-11-3-2-4-12(9-11)13-5-6-15-14(10-13)16-7-8-17-15/h2-6,9-10,16H,7-8H2,1H3.
What are the key properties of 6-(3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine?
6-(3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 225.29 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 116817431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).