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

C17H19NO — CID 121441320

IUPAC3-(3-ethylphenyl)-7-methyl-2,4-dihydro-1,3-benzoxazine
SMILESCCc1cccc(N2COc3cc(C)ccc3C2)c1
InChIInChI=1S/C17H19NO/c1-3-14-5-4-6-16(10-14)18-11-15-8-7-13(2)9-17(15)19-12-18/h4-10H,3,11-12H2,1-2H3
InChIKeyCGLHLAWQWJAYQQ-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.91
Rot. Bonds2

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

3-(3-ethylphenyl)-7-methyl-2,4-dihydro-1,3-benzoxazine (PubChem CID 121441320) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 3-(3-ethylphenyl)-7-methyl-2,4-dihydro-1,3-benzoxazine.

Molecular Properties

Compound Name3-(3-ethylphenyl)-7-methyl-2,4-dihydro-1,3-benzoxazine
PubChem CID121441320
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name3-(3-ethylphenyl)-7-methyl-2,4-dihydro-1,3-benzoxazine
SMILESCCc1cccc(N2COc3cc(C)ccc3C2)c1
InChIInChI=1S/C17H19NO/c1-3-14-5-4-6-16(10-14)18-11-15-8-7-13(2)9-17(15)19-12-18/h4-10H,3,11-12H2,1-2H3
InChIKeyCGLHLAWQWJAYQQ-UHFFFAOYSA-N
XLogP3.91
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylphenyl)-7-methyl-2,4-dihydro-1,3-benzoxazine?
The IUPAC name of 3-(3-ethylphenyl)-7-methyl-2,4-dihydro-1,3-benzoxazine (CID 121441320) is 3-(3-ethylphenyl)-7-methyl-2,4-dihydro-1,3-benzoxazine.
What is the SMILES notation for 3-(3-ethylphenyl)-7-methyl-2,4-dihydro-1,3-benzoxazine?
The canonical SMILES for 3-(3-ethylphenyl)-7-methyl-2,4-dihydro-1,3-benzoxazine is CCc1cccc(N2COc3cc(C)ccc3C2)c1.
What is the InChIKey of 3-(3-ethylphenyl)-7-methyl-2,4-dihydro-1,3-benzoxazine?
The InChIKey is CGLHLAWQWJAYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-3-14-5-4-6-16(10-14)18-11-15-8-7-13(2)9-17(15)19-12-18/h4-10H,3,11-12H2,1-2H3.
What are the key properties of 3-(3-ethylphenyl)-7-methyl-2,4-dihydro-1,3-benzoxazine?
3-(3-ethylphenyl)-7-methyl-2,4-dihydro-1,3-benzoxazine has a molecular weight of 253.34 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylphenyl)-7-methyl-2,4-dihydro-1,3-benzoxazine is sourced from PubChem (CID 121441320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).