2-methyl-6-(2-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine

C16H17NO — CID 116817465

IUPAC2-methyl-6-(2-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESCc1ccccc1-c1ccc2c(c1)NCC(C)O2
InChIInChI=1S/C16H17NO/c1-11-5-3-4-6-14(11)13-7-8-16-15(9-13)17-10-12(2)18-16/h3-9,12,17H,10H2,1-2H3
InChIKeyRNXRPQVGSAMELZ-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.85
Rot. Bonds1

About 2-methyl-6-(2-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine

2-methyl-6-(2-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 116817465) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-methyl-6-(2-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name2-methyl-6-(2-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID116817465
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name2-methyl-6-(2-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESCc1ccccc1-c1ccc2c(c1)NCC(C)O2
InChIInChI=1S/C16H17NO/c1-11-5-3-4-6-14(11)13-7-8-16-15(9-13)17-10-12(2)18-16/h3-9,12,17H,10H2,1-2H3
InChIKeyRNXRPQVGSAMELZ-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2-bromophenyl)-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 116817485
6-(3-bromo-4-methylphenyl)-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 116817481
2,6,7-trimethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 82229720
(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 94804094
4-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine
CID 82025072
(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)boronic acid
CID 167718558
2,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 79001888
N-ethyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine
CID 82059310
2-methyl-6-methylsulfonyl-3,4-dihydro-2H-1,4-benzoxazine
CID 80503022
N-methyl-N-[2-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]aniline
CID 82260884
6-[(3,5-dimethylcyclohexylidene)methyl]-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 123180259
7-tert-butyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 90244467

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 2-methyl-6-(2-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine (CID 116817465) is 2-methyl-6-(2-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 2-methyl-6-(2-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 2-methyl-6-(2-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine is Cc1ccccc1-c1ccc2c(c1)NCC(C)O2.
What is the InChIKey of 2-methyl-6-(2-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is RNXRPQVGSAMELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-11-5-3-4-6-14(11)13-7-8-16-15(9-13)17-10-12(2)18-16/h3-9,12,17H,10H2,1-2H3.
What are the key properties of 2-methyl-6-(2-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine?
2-methyl-6-(2-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 239.32 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 116817465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).