8-chloro-2-(2,4-dimethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine

C16H16ClNO — CID 81433582

IUPAC8-chloro-2-(2,4-dimethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESCc1ccc(C2CNc3cccc(Cl)c3O2)c(C)c1
InChIInChI=1S/C16H16ClNO/c1-10-6-7-12(11(2)8-10)15-9-18-14-5-3-4-13(17)16(14)19-15/h3-8,15,18H,9H2,1-2H3
InChIKeyWHTNIAMDELUZGO-UHFFFAOYSA-N
MW273.76 g/mol
LogP4.50
Rot. Bonds1

About 8-chloro-2-(2,4-dimethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine

8-chloro-2-(2,4-dimethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 81433582) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is 8-chloro-2-(2,4-dimethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name8-chloro-2-(2,4-dimethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID81433582
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name8-chloro-2-(2,4-dimethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESCc1ccc(C2CNc3cccc(Cl)c3O2)c(C)c1
InChIInChI=1S/C16H16ClNO/c1-10-6-7-12(11(2)8-10)15-9-18-14-5-3-4-13(17)16(14)19-15/h3-8,15,18H,9H2,1-2H3
InChIKeyWHTNIAMDELUZGO-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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Related Compounds

2-(4-bromo-2-fluorophenyl)-8-chloro-3,4-dihydro-2H-1,4-benzoxazine
CID 82971203
8-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 75355763
(2S)-8-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 94975646
(2S)-8-chloro-2-ethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 94975883
6,8-dichloro-2-(2-methoxy-5-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 107676458
[(2R)-8-chloro-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methanol
CID 170730196
2-(4-chlorophenyl)-6,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 79017960
8-chloro-2-cyclopropyl-3,4-dihydro-2H-1,4-benzoxazine
CID 170730200
8-methyl-2-phenyl-3,4-dihydro-2H-1,4-benzoxazine
CID 59679612
2-(8-chloro-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetic acid
CID 81433230
6,8-dichloro-2-(3-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 107676510
2-(4-fluorophenyl)-8-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 79017957

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(2,4-dimethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 8-chloro-2-(2,4-dimethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine (CID 81433582) is 8-chloro-2-(2,4-dimethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 8-chloro-2-(2,4-dimethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 8-chloro-2-(2,4-dimethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine is Cc1ccc(C2CNc3cccc(Cl)c3O2)c(C)c1.
What is the InChIKey of 8-chloro-2-(2,4-dimethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is WHTNIAMDELUZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-10-6-7-12(11(2)8-10)15-9-18-14-5-3-4-13(17)16(14)19-15/h3-8,15,18H,9H2,1-2H3.
What are the key properties of 8-chloro-2-(2,4-dimethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine?
8-chloro-2-(2,4-dimethylphenyl)-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 8-chloro-2-(2,4-dimethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 81433582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).