4-methyl-3-propan-2-yl-2,4-dihydro-1,3-benzoxazine

C12H17NO — CID 12808442

IUPAC4-methyl-3-propan-2-yl-2,4-dihydro-1,3-benzoxazine
SMILESCC(C)N1COc2ccccc2C1C
InChIInChI=1S/C12H17NO/c1-9(2)13-8-14-12-7-5-4-6-11(12)10(13)3/h4-7,9-10H,8H2,1-3H3
InChIKeyIBOYOVBHDHTGOB-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.81
Rot. Bonds1

About 4-methyl-3-propan-2-yl-2,4-dihydro-1,3-benzoxazine

4-methyl-3-propan-2-yl-2,4-dihydro-1,3-benzoxazine (PubChem CID 12808442) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 4-methyl-3-propan-2-yl-2,4-dihydro-1,3-benzoxazine.

Molecular Properties

Compound Name4-methyl-3-propan-2-yl-2,4-dihydro-1,3-benzoxazine
PubChem CID12808442
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name4-methyl-3-propan-2-yl-2,4-dihydro-1,3-benzoxazine
SMILESCC(C)N1COc2ccccc2C1C
InChIInChI=1S/C12H17NO/c1-9(2)13-8-14-12-7-5-4-6-11(12)10(13)3/h4-7,9-10H,8H2,1-3H3
InChIKeyIBOYOVBHDHTGOB-UHFFFAOYSA-N
XLogP2.81
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-methyl-3-propan-2-yl-2,4-dihydro-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

2-methyl-1-(5-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-1-one
CID 110872008
5-methyl-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzoxazepine
CID 110872050
(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethanamine
CID 96839651
10-methyl-6,8,9,10,11,12a-hexahydro-[1,3]benzothiazolo[3,2-c][1,3]benzoxazine
CID 145064410
(4S)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 68776309
(3S,4R)-3-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 174973153
3,4-dimethyl-3,4-dihydro-2H-chromene;methanol
CID 90924294
1-(3,4-dihydro-2H-chromen-4-yl)butane-2,3-diol
CID 103452745
(4S)-4-[(1R)-1-nitroethyl]-3,4-dihydro-2H-chromene
CID 57342248
5-methyl-3,5-dihydro-2H-1-benzoxepin-4-one
CID 84655541
3,3-difluoro-4-methyl-2,4-dihydrochromene
CID 156843702
3-(1-fluoroethyl)-2H-1,3-benzoxazole
CID 174841645

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-propan-2-yl-2,4-dihydro-1,3-benzoxazine?
The IUPAC name of 4-methyl-3-propan-2-yl-2,4-dihydro-1,3-benzoxazine (CID 12808442) is 4-methyl-3-propan-2-yl-2,4-dihydro-1,3-benzoxazine.
What is the SMILES notation for 4-methyl-3-propan-2-yl-2,4-dihydro-1,3-benzoxazine?
The canonical SMILES for 4-methyl-3-propan-2-yl-2,4-dihydro-1,3-benzoxazine is CC(C)N1COc2ccccc2C1C.
What is the InChIKey of 4-methyl-3-propan-2-yl-2,4-dihydro-1,3-benzoxazine?
The InChIKey is IBOYOVBHDHTGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9(2)13-8-14-12-7-5-4-6-11(12)10(13)3/h4-7,9-10H,8H2,1-3H3.
What are the key properties of 4-methyl-3-propan-2-yl-2,4-dihydro-1,3-benzoxazine?
4-methyl-3-propan-2-yl-2,4-dihydro-1,3-benzoxazine has a molecular weight of 191.27 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-propan-2-yl-2,4-dihydro-1,3-benzoxazine is sourced from PubChem (CID 12808442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).