2-(2-methylbutan-2-yl)-3,4-dihydro-2H-1,3-benzoxazine

C13H19NO — CID 130224885

IUPAC2-(2-methylbutan-2-yl)-3,4-dihydro-2H-1,3-benzoxazine
SMILESCCC(C)(C)C1NCc2ccccc2O1
InChIInChI=1S/C13H19NO/c1-4-13(2,3)12-14-9-10-7-5-6-8-11(10)15-12/h5-8,12,14H,4,9H2,1-3H3
InChIKeySFTQXBQMBMDBAN-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.93
Rot. Bonds2

About 2-(2-methylbutan-2-yl)-3,4-dihydro-2H-1,3-benzoxazine

2-(2-methylbutan-2-yl)-3,4-dihydro-2H-1,3-benzoxazine (PubChem CID 130224885) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-(2-methylbutan-2-yl)-3,4-dihydro-2H-1,3-benzoxazine.

Molecular Properties

Compound Name2-(2-methylbutan-2-yl)-3,4-dihydro-2H-1,3-benzoxazine
PubChem CID130224885
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-(2-methylbutan-2-yl)-3,4-dihydro-2H-1,3-benzoxazine
SMILESCCC(C)(C)C1NCc2ccccc2O1
InChIInChI=1S/C13H19NO/c1-4-13(2,3)12-14-9-10-7-5-6-8-11(10)15-12/h5-8,12,14H,4,9H2,1-3H3
InChIKeySFTQXBQMBMDBAN-UHFFFAOYSA-N
XLogP2.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-methylbutan-2-yl)-3,4-dihydro-2H-1,3-benzoxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine
CID 75480508
2,3,4,5-tetrahydro-1,4-benzoxazepin-3-ol
CID 86769190
methyl (2R)-2-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-2-methylbutanoate
CID 97315904
N-(2-cyanobutan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 61120374
3-(2,3-dihydro-1H-isoindol-1-yl)pentan-3-ol
CID 65041986
N-ethyl-N-methyl-2,3-dihydro-1-benzofuran-2-amine
CID 70261253
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylpentan-3-amine
CID 66365713
3-tert-butyl-1,2,3,4-tetrahydroisoquinoline
CID 10487896
(1R)-1-tert-butyl-2,3-dihydro-1H-isoindole
CID 139332278
(3S)-N-methyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896545
2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-N,2-dimethylbutane-1,2-diamine
CID 66346640
(3R)-3-(2,2-dimethylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 59639486

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutan-2-yl)-3,4-dihydro-2H-1,3-benzoxazine?
The IUPAC name of 2-(2-methylbutan-2-yl)-3,4-dihydro-2H-1,3-benzoxazine (CID 130224885) is 2-(2-methylbutan-2-yl)-3,4-dihydro-2H-1,3-benzoxazine.
What is the SMILES notation for 2-(2-methylbutan-2-yl)-3,4-dihydro-2H-1,3-benzoxazine?
The canonical SMILES for 2-(2-methylbutan-2-yl)-3,4-dihydro-2H-1,3-benzoxazine is CCC(C)(C)C1NCc2ccccc2O1.
What is the InChIKey of 2-(2-methylbutan-2-yl)-3,4-dihydro-2H-1,3-benzoxazine?
The InChIKey is SFTQXBQMBMDBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-13(2,3)12-14-9-10-7-5-6-8-11(10)15-12/h5-8,12,14H,4,9H2,1-3H3.
What are the key properties of 2-(2-methylbutan-2-yl)-3,4-dihydro-2H-1,3-benzoxazine?
2-(2-methylbutan-2-yl)-3,4-dihydro-2H-1,3-benzoxazine has a molecular weight of 205.30 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutan-2-yl)-3,4-dihydro-2H-1,3-benzoxazine is sourced from PubChem (CID 130224885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).