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

C18H21NO — CID 82228803

IUPAC2-[(2-ethylphenyl)methyl]-7-methyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCCc1ccccc1CC1CNc2ccc(C)cc2O1
InChIInChI=1S/C18H21NO/c1-3-14-6-4-5-7-15(14)11-16-12-19-17-9-8-13(2)10-18(17)20-16/h4-10,16,19H,3,11-12H2,1-2H3
InChIKeyBMBNCEOZMYVDMX-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.97
Rot. Bonds3

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

2-[(2-ethylphenyl)methyl]-7-methyl-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 82228803) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[(2-ethylphenyl)methyl]-7-methyl-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name2-[(2-ethylphenyl)methyl]-7-methyl-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID82228803
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name2-[(2-ethylphenyl)methyl]-7-methyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCCc1ccccc1CC1CNc2ccc(C)cc2O1
InChIInChI=1S/C18H21NO/c1-3-14-6-4-5-7-15(14)11-16-12-19-17-9-8-13(2)10-18(17)20-16/h4-10,16,19H,3,11-12H2,1-2H3
InChIKeyBMBNCEOZMYVDMX-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylphenyl)methyl]-7-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 2-[(2-ethylphenyl)methyl]-7-methyl-3,4-dihydro-2H-1,4-benzoxazine (CID 82228803) is 2-[(2-ethylphenyl)methyl]-7-methyl-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 2-[(2-ethylphenyl)methyl]-7-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 2-[(2-ethylphenyl)methyl]-7-methyl-3,4-dihydro-2H-1,4-benzoxazine is CCc1ccccc1CC1CNc2ccc(C)cc2O1.
What is the InChIKey of 2-[(2-ethylphenyl)methyl]-7-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is BMBNCEOZMYVDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-3-14-6-4-5-7-15(14)11-16-12-19-17-9-8-13(2)10-18(17)20-16/h4-10,16,19H,3,11-12H2,1-2H3.
What are the key properties of 2-[(2-ethylphenyl)methyl]-7-methyl-3,4-dihydro-2H-1,4-benzoxazine?
2-[(2-ethylphenyl)methyl]-7-methyl-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 267.37 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylphenyl)methyl]-7-methyl-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 82228803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).