4-(2-methyl-6-propan-2-ylphenyl)-2,3-dihydro-1,4-benzoxazine

C18H21NO — CID 117007463

IUPAC4-(2-methyl-6-propan-2-ylphenyl)-2,3-dihydro-1,4-benzoxazine
SMILESCc1cccc(C(C)C)c1N1CCOc2ccccc21
InChIInChI=1S/C18H21NO/c1-13(2)15-8-6-7-14(3)18(15)19-11-12-20-17-10-5-4-9-16(17)19/h4-10,13H,11-12H2,1-3H3
InChIKeyXJTQKDIQOZZFRI-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.65
Rot. Bonds2

About 4-(2-methyl-6-propan-2-ylphenyl)-2,3-dihydro-1,4-benzoxazine

4-(2-methyl-6-propan-2-ylphenyl)-2,3-dihydro-1,4-benzoxazine (PubChem CID 117007463) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-(2-methyl-6-propan-2-ylphenyl)-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name4-(2-methyl-6-propan-2-ylphenyl)-2,3-dihydro-1,4-benzoxazine
PubChem CID117007463
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name4-(2-methyl-6-propan-2-ylphenyl)-2,3-dihydro-1,4-benzoxazine
SMILESCc1cccc(C(C)C)c1N1CCOc2ccccc21
InChIInChI=1S/C18H21NO/c1-13(2)15-8-6-7-14(3)18(15)19-11-12-20-17-10-5-4-9-16(17)19/h4-10,13H,11-12H2,1-3H3
InChIKeyXJTQKDIQOZZFRI-UHFFFAOYSA-N
XLogP4.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine
CID 117007473
4-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine
CID 117007471
4-(2-propan-2-ylphenyl)morpholine-2,3-dione
CID 117005513
2-(2,3-dihydro-1,4-benzoxazin-4-yl)aniline
CID 82391483
ethane;4-methyl-2,3-dihydro-1,4-benzoxazine
CID 142222866
4-(2-chlorophenyl)-2,3-dihydro-1,4-benzoxazine
CID 117007468
3-(2-methyl-6-propan-2-ylphenyl)-2-oxo-1,3-oxazinane-5-carbonitrile
CID 117010571
N-(2-propan-2-ylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide
CID 110865789
[1-[2,6-di(propan-2-yl)phenyl]-3-(2-methylphenyl)imidazolidin-2-ylidene]azanide;methanidylbenzene;titanium(4+)
CID 159923229
3-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[2,6-di(propan-2-yl)phenyl]-3-oxopropanamide
CID 139751020
4-methyl-2,3-dihydro-1,4-benzoxazine;propane
CID 143401269
4-(3-chlorophenyl)-2,3-dihydro-1,4-benzoxazine
CID 117007469

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-6-propan-2-ylphenyl)-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 4-(2-methyl-6-propan-2-ylphenyl)-2,3-dihydro-1,4-benzoxazine (CID 117007463) is 4-(2-methyl-6-propan-2-ylphenyl)-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 4-(2-methyl-6-propan-2-ylphenyl)-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 4-(2-methyl-6-propan-2-ylphenyl)-2,3-dihydro-1,4-benzoxazine is Cc1cccc(C(C)C)c1N1CCOc2ccccc21.
What is the InChIKey of 4-(2-methyl-6-propan-2-ylphenyl)-2,3-dihydro-1,4-benzoxazine?
The InChIKey is XJTQKDIQOZZFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-13(2)15-8-6-7-14(3)18(15)19-11-12-20-17-10-5-4-9-16(17)19/h4-10,13H,11-12H2,1-3H3.
What are the key properties of 4-(2-methyl-6-propan-2-ylphenyl)-2,3-dihydro-1,4-benzoxazine?
4-(2-methyl-6-propan-2-ylphenyl)-2,3-dihydro-1,4-benzoxazine has a molecular weight of 267.37 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-6-propan-2-ylphenyl)-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 117007463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).