3-[(2-chlorophenyl)methyl]-5,7-dimethyl-2,4-dihydro-1,3-benzoxazine

C17H18ClNO — CID 866779

IUPAC3-[(2-chlorophenyl)methyl]-5,7-dimethyl-2,4-dihydro-1,3-benzoxazine
SMILESCc1cc(C)c2c(c1)OCN(Cc1ccccc1Cl)C2
InChIInChI=1S/C17H18ClNO/c1-12-7-13(2)15-10-19(11-20-17(15)8-12)9-14-5-3-4-6-16(14)18/h3-8H,9-11H2,1-2H3
InChIKeyZYENOBGPADGVLM-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.31
Rot. Bonds2

About 3-[(2-chlorophenyl)methyl]-5,7-dimethyl-2,4-dihydro-1,3-benzoxazine

3-[(2-chlorophenyl)methyl]-5,7-dimethyl-2,4-dihydro-1,3-benzoxazine (PubChem CID 866779) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methyl]-5,7-dimethyl-2,4-dihydro-1,3-benzoxazine.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methyl]-5,7-dimethyl-2,4-dihydro-1,3-benzoxazine
PubChem CID866779
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name3-[(2-chlorophenyl)methyl]-5,7-dimethyl-2,4-dihydro-1,3-benzoxazine
SMILESCc1cc(C)c2c(c1)OCN(Cc1ccccc1Cl)C2
InChIInChI=1S/C17H18ClNO/c1-12-7-13(2)15-10-19(11-20-17(15)8-12)9-14-5-3-4-6-16(14)18/h3-8H,9-11H2,1-2H3
InChIKeyZYENOBGPADGVLM-UHFFFAOYSA-N
XLogP4.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methyl]-5,7-dimethyl-2,4-dihydro-1,3-benzoxazine?
The IUPAC name of 3-[(2-chlorophenyl)methyl]-5,7-dimethyl-2,4-dihydro-1,3-benzoxazine (CID 866779) is 3-[(2-chlorophenyl)methyl]-5,7-dimethyl-2,4-dihydro-1,3-benzoxazine.
What is the SMILES notation for 3-[(2-chlorophenyl)methyl]-5,7-dimethyl-2,4-dihydro-1,3-benzoxazine?
The canonical SMILES for 3-[(2-chlorophenyl)methyl]-5,7-dimethyl-2,4-dihydro-1,3-benzoxazine is Cc1cc(C)c2c(c1)OCN(Cc1ccccc1Cl)C2.
What is the InChIKey of 3-[(2-chlorophenyl)methyl]-5,7-dimethyl-2,4-dihydro-1,3-benzoxazine?
The InChIKey is ZYENOBGPADGVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-12-7-13(2)15-10-19(11-20-17(15)8-12)9-14-5-3-4-6-16(14)18/h3-8H,9-11H2,1-2H3.
What are the key properties of 3-[(2-chlorophenyl)methyl]-5,7-dimethyl-2,4-dihydro-1,3-benzoxazine?
3-[(2-chlorophenyl)methyl]-5,7-dimethyl-2,4-dihydro-1,3-benzoxazine has a molecular weight of 287.79 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methyl]-5,7-dimethyl-2,4-dihydro-1,3-benzoxazine is sourced from PubChem (CID 866779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).