1,2-dimethyl-2,4-diphenyl-4H-3,1-benzoxazine

C22H21NO — CID 12958598

IUPAC1,2-dimethyl-2,4-diphenyl-4H-3,1-benzoxazine
SMILESCN1c2ccccc2C(c2ccccc2)OC1(C)c1ccccc1
InChIInChI=1S/C22H21NO/c1-22(18-13-7-4-8-14-18)23(2)20-16-10-9-15-19(20)21(24-22)17-11-5-3-6-12-17/h3-16,21H,1-2H3
InChIKeyGZXNPRFAMPRHDC-UHFFFAOYSA-N
MW315.42 g/mol
LogP5.12
Rot. Bonds2

About 1,2-dimethyl-2,4-diphenyl-4H-3,1-benzoxazine

1,2-dimethyl-2,4-diphenyl-4H-3,1-benzoxazine (PubChem CID 12958598) has the molecular formula C22H21NO and a molecular weight of 315.42 g/mol. Its IUPAC name is 1,2-dimethyl-2,4-diphenyl-4H-3,1-benzoxazine.

Molecular Properties

Compound Name1,2-dimethyl-2,4-diphenyl-4H-3,1-benzoxazine
PubChem CID12958598
Molecular FormulaC22H21NO
Molecular Weight315.42 g/mol
Exact Mass315.16
IUPAC Name1,2-dimethyl-2,4-diphenyl-4H-3,1-benzoxazine
SMILESCN1c2ccccc2C(c2ccccc2)OC1(C)c1ccccc1
InChIInChI=1S/C22H21NO/c1-22(18-13-7-4-8-14-18)23(2)20-16-10-9-15-19(20)21(24-22)17-11-5-3-6-12-17/h3-16,21H,1-2H3
InChIKeyGZXNPRFAMPRHDC-UHFFFAOYSA-N
XLogP5.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.42
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-2,4-diphenyl-4H-3,1-benzoxazine?
The IUPAC name of 1,2-dimethyl-2,4-diphenyl-4H-3,1-benzoxazine (CID 12958598) is 1,2-dimethyl-2,4-diphenyl-4H-3,1-benzoxazine.
What is the SMILES notation for 1,2-dimethyl-2,4-diphenyl-4H-3,1-benzoxazine?
The canonical SMILES for 1,2-dimethyl-2,4-diphenyl-4H-3,1-benzoxazine is CN1c2ccccc2C(c2ccccc2)OC1(C)c1ccccc1.
What is the InChIKey of 1,2-dimethyl-2,4-diphenyl-4H-3,1-benzoxazine?
The InChIKey is GZXNPRFAMPRHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO/c1-22(18-13-7-4-8-14-18)23(2)20-16-10-9-15-19(20)21(24-22)17-11-5-3-6-12-17/h3-16,21H,1-2H3.
What are the key properties of 1,2-dimethyl-2,4-diphenyl-4H-3,1-benzoxazine?
1,2-dimethyl-2,4-diphenyl-4H-3,1-benzoxazine has a molecular weight of 315.42 g/mol, XLogP of 5.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-2,4-diphenyl-4H-3,1-benzoxazine is sourced from PubChem (CID 12958598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).