4-(2-methoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine

C16H17NO2 — CID 117007415

IUPAC4-(2-methoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine
SMILESCOc1ccccc1N1CC(C)Oc2ccccc21
InChIInChI=1S/C16H17NO2/c1-12-11-17(13-7-3-5-9-15(13)18-2)14-8-4-6-10-16(14)19-12/h3-10,12H,11H2,1-2H3
InChIKeyTWCGQSSDCLNDMC-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.61
Rot. Bonds2

About 4-(2-methoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine

4-(2-methoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine (PubChem CID 117007415) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine
PubChem CID117007415
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name4-(2-methoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine
SMILESCOc1ccccc1N1CC(C)Oc2ccccc21
InChIInChI=1S/C16H17NO2/c1-12-11-17(13-7-3-5-9-15(13)18-2)14-8-4-6-10-16(14)19-12/h3-10,12H,11H2,1-2H3
InChIKeyTWCGQSSDCLNDMC-UHFFFAOYSA-N
XLogP3.61
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-phenyl-2,3-dihydro-1,4-benzoxazine
CID 19748849
2-methyl-4-(2,4,6-trimethylphenyl)-2,3-dihydro-1,4-benzoxazine
CID 117007407
4-(3-fluorophenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine
CID 117007423
1-(2-methoxyphenyl)-5-methylpiperazine-2,3-dione
CID 122715416
(2R)-2-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine
CID 95051819
(3S,5R)-1-(2-methoxyphenyl)-3,5-dimethylpiperidine
CID 159772789
3-(2-methoxyphenyl)-6-oxa-3-azabicyclo[3.1.1]heptan-2-one
CID 84786579
1-(2-methoxyphenyl)-N,N-dimethylazetidin-3-amine
CID 175916234
(5S)-1-(2-methoxyphenyl)-5-methyl-2-sulfanylidene-1,3-diazinan-4-one
CID 850225
1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2941796
(2R)-5-methoxy-2-methyl-2,3-dihydrochromen-4-one
CID 5316661
(2S)-5-methoxy-2-methyl-2,3-dihydrochromen-4-one
CID 155907329

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 4-(2-methoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine (CID 117007415) is 4-(2-methoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 4-(2-methoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 4-(2-methoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine is COc1ccccc1N1CC(C)Oc2ccccc21.
What is the InChIKey of 4-(2-methoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine?
The InChIKey is TWCGQSSDCLNDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-12-11-17(13-7-3-5-9-15(13)18-2)14-8-4-6-10-16(14)19-12/h3-10,12H,11H2,1-2H3.
What are the key properties of 4-(2-methoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine?
4-(2-methoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine has a molecular weight of 255.32 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 117007415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).