2-[(3,4-dimethylphenyl)methyl]-7-methyl-3,4-dihydro-2H-1,4-benzoxazine

C18H21NO — CID 82228808

IUPAC2-[(3,4-dimethylphenyl)methyl]-7-methyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCc1ccc2c(c1)OC(Cc1ccc(C)c(C)c1)CN2
InChIInChI=1S/C18H21NO/c1-12-4-7-17-18(8-12)20-16(11-19-17)10-15-6-5-13(2)14(3)9-15/h4-9,16,19H,10-11H2,1-3H3
InChIKeyDNWSNBUVRMJURZ-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.03
Rot. Bonds2

About 2-[(3,4-dimethylphenyl)methyl]-7-methyl-3,4-dihydro-2H-1,4-benzoxazine

2-[(3,4-dimethylphenyl)methyl]-7-methyl-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 82228808) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[(3,4-dimethylphenyl)methyl]-7-methyl-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name2-[(3,4-dimethylphenyl)methyl]-7-methyl-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID82228808
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name2-[(3,4-dimethylphenyl)methyl]-7-methyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCc1ccc2c(c1)OC(Cc1ccc(C)c(C)c1)CN2
InChIInChI=1S/C18H21NO/c1-12-4-7-17-18(8-12)20-16(11-19-17)10-15-6-5-13(2)14(3)9-15/h4-9,16,19H,10-11H2,1-3H3
InChIKeyDNWSNBUVRMJURZ-UHFFFAOYSA-N
XLogP4.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethylphenyl)methyl]-7-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 2-[(3,4-dimethylphenyl)methyl]-7-methyl-3,4-dihydro-2H-1,4-benzoxazine (CID 82228808) is 2-[(3,4-dimethylphenyl)methyl]-7-methyl-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 2-[(3,4-dimethylphenyl)methyl]-7-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 2-[(3,4-dimethylphenyl)methyl]-7-methyl-3,4-dihydro-2H-1,4-benzoxazine is Cc1ccc2c(c1)OC(Cc1ccc(C)c(C)c1)CN2.
What is the InChIKey of 2-[(3,4-dimethylphenyl)methyl]-7-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is DNWSNBUVRMJURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-12-4-7-17-18(8-12)20-16(11-19-17)10-15-6-5-13(2)14(3)9-15/h4-9,16,19H,10-11H2,1-3H3.
What are the key properties of 2-[(3,4-dimethylphenyl)methyl]-7-methyl-3,4-dihydro-2H-1,4-benzoxazine?
2-[(3,4-dimethylphenyl)methyl]-7-methyl-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 267.37 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethylphenyl)methyl]-7-methyl-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 82228808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).