2-(4-chlorophenyl)-6,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine

C16H16ClNO — CID 79017960

IUPAC2-(4-chlorophenyl)-6,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCc1cc(C)c2c(c1)NCC(c1ccc(Cl)cc1)O2
InChIInChI=1S/C16H16ClNO/c1-10-7-11(2)16-14(8-10)18-9-15(19-16)12-3-5-13(17)6-4-12/h3-8,15,18H,9H2,1-2H3
InChIKeyUIZFSMCAOMYRLV-UHFFFAOYSA-N
MW273.76 g/mol
LogP4.50
Rot. Bonds1

About 2-(4-chlorophenyl)-6,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine

2-(4-chlorophenyl)-6,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 79017960) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID79017960
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name2-(4-chlorophenyl)-6,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCc1cc(C)c2c(c1)NCC(c1ccc(Cl)cc1)O2
InChIInChI=1S/C16H16ClNO/c1-10-7-11(2)16-14(8-10)18-9-15(19-16)12-3-5-13(17)6-4-12/h3-8,15,18H,9H2,1-2H3
InChIKeyUIZFSMCAOMYRLV-UHFFFAOYSA-N
XLogP4.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 2-(4-chlorophenyl)-6,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine (CID 79017960) is 2-(4-chlorophenyl)-6,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 2-(4-chlorophenyl)-6,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 2-(4-chlorophenyl)-6,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine is Cc1cc(C)c2c(c1)NCC(c1ccc(Cl)cc1)O2.
What is the InChIKey of 2-(4-chlorophenyl)-6,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is UIZFSMCAOMYRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-10-7-11(2)16-14(8-10)18-9-15(19-16)12-3-5-13(17)6-4-12/h3-8,15,18H,9H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-6,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine?
2-(4-chlorophenyl)-6,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 273.76 g/mol, XLogP of 4.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 79017960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).