7-methyl-2-[(2-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine

C17H19NO — CID 82228820

IUPAC7-methyl-2-[(2-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine
SMILESCc1ccc2c(c1)OC(Cc1ccccc1C)CN2
InChIInChI=1S/C17H19NO/c1-12-7-8-16-17(9-12)19-15(11-18-16)10-14-6-4-3-5-13(14)2/h3-9,15,18H,10-11H2,1-2H3
InChIKeyGMLHQZLLDPKDQP-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.72
Rot. Bonds2

About 7-methyl-2-[(2-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine

7-methyl-2-[(2-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 82228820) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 7-methyl-2-[(2-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name7-methyl-2-[(2-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID82228820
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name7-methyl-2-[(2-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine
SMILESCc1ccc2c(c1)OC(Cc1ccccc1C)CN2
InChIInChI=1S/C17H19NO/c1-12-7-8-16-17(9-12)19-15(11-18-16)10-14-6-4-3-5-13(14)2/h3-9,15,18H,10-11H2,1-2H3
InChIKeyGMLHQZLLDPKDQP-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[(2-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 7-methyl-2-[(2-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine (CID 82228820) is 7-methyl-2-[(2-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 7-methyl-2-[(2-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 7-methyl-2-[(2-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine is Cc1ccc2c(c1)OC(Cc1ccccc1C)CN2.
What is the InChIKey of 7-methyl-2-[(2-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is GMLHQZLLDPKDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-12-7-8-16-17(9-12)19-15(11-18-16)10-14-6-4-3-5-13(14)2/h3-9,15,18H,10-11H2,1-2H3.
What are the key properties of 7-methyl-2-[(2-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine?
7-methyl-2-[(2-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 253.35 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[(2-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 82228820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).