2,2-dimethyl-6-(2-methylpropyl)-3,4-dihydro-1,4-benzoxazine;7-(2-methylpropyl)-4H-chromen-3-one;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;6-(2-methylpropyl)-3,4-dihydro-2H-1,4-benzoxazine;6-(2-methylpropyl)-3,4-dihydro-2H-chromene;7-(2-methylpropyl)-3,4-dihydro-2H-chromene;5-(2-methylpropyl)-2,3-dihydro-1H-indene;7-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline

C103H143N3O7 — CID 157375475

About 2,2-dimethyl-6-(2-methylpropyl)-3,4-dihydro-1,4-benzoxazine;7-(2-methylpropyl)-4H-chromen-3-one;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;6-(2-methylpropyl)-3,4-dihydro-2H-1,4-benzoxazine;6-(2-methylpropyl)-3,4-dihydro-2H-chromene;7-(2-methylpropyl)-3,4-dihydro-2H-chromene;5-(2-methylpropyl)-2,3-dihydro-1H-indene;7-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline

2,2-dimethyl-6-(2-methylpropyl)-3,4-dihydro-1,4-benzoxazine;7-(2-methylpropyl)-4H-chromen-3-one;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;6-(2-methylpropyl)-3,4-dihydro-2H-1,4-benzoxazine;6-(2-methylpropyl)-3,4-dihydro-2H-chromene;7-(2-methylpropyl)-3,4-dihydro-2H-chromene;5-(2-methylpropyl)-2,3-dihydro-1H-indene;7-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 157375475) has the molecular formula C103H143N3O7 and a molecular weight of 1535.29 g/mol. Its IUPAC name is 2,2-dimethyl-6-(2-methylpropyl)-3,4-dihydro-1,4-benzoxazine;7-(2-methylpropyl)-4H-chromen-3-one;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;6-(2-methylpropyl)-3,4-dihydro-2H-1,4-benzoxazine;6-(2-methylpropyl)-3,4-dihydro-2H-chromene;7-(2-methylpropyl)-3,4-dihydro-2H-chromene;5-(2-methylpropyl)-2,3-dihydro-1H-indene;7-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

• Compound Name: 2,2-dimethyl-6-(2-methylpropyl)-3,4-dihydro-1,4-benzoxazine;7-(2-methylpropyl)-4H-chromen-3-one;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;6-(2-methylpropyl)-3,4-dihydro-2H-1,4-benzoxazine;6-(2-methylpropyl)-3,4-dihydro-2H-chromene;7-(2-methylpropyl)-3,4-dihydro-2H-chromene;5-(2-methylpropyl)-2,3-dihydro-1H-indene;7-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline
• PubChem CID: 157375475
• Molecular Formula: C103H143N3O7
• Molecular Weight: 1535.29 g/mol
• Exact Mass: 1534.09
• IUPAC Name: 2,2-dimethyl-6-(2-methylpropyl)-3,4-dihydro-1,4-benzoxazine;7-(2-methylpropyl)-4H-chromen-3-one;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;6-(2-methylpropyl)-3,4-dihydro-2H-1,4-benzoxazine;6-(2-methylpropyl)-3,4-dihydro-2H-chromene;7-(2-methylpropyl)-3,4-dihydro-2H-chromene;5-(2-methylpropyl)-2,3-dihydro-1H-indene;7-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline
• SMILES: CC(C)Cc1ccc2c(c1)CCC2.CC(C)Cc1ccc2c(c1)CCCO2.CC(C)Cc1ccc2c(c1)CCO2.CC(C)Cc1ccc2c(c1)NCC(C)(C)O2.CC(C)Cc1ccc2c(c1)NCCC2.CC(C)Cc1ccc2c(c1)NCCO2.CC(C)Cc1ccc2c(c1)OCC(=O)C2.CC(C)Cc1ccc2c(c1)OCCC2
• InChI: InChI=1S/C14H21NO.C13H19N.C13H16O2.2C13H18O.C13H18.C12H17NO.C12H16O/c1-10(2)7-11-5-6-13-12(8-11)15-9-14(3,4)16-13;1-10(2)8-11-5-6-12-4-3-7-14-13(12)9-11;1-9(2)5-10-3-4-11-7-12(14)8-15-13(11)6-10;1-10(2)8-11-5-6-13-12(9-11)4-3-7-14-13;1-10(2)8-11-5-6-12-4-3-7-14-13(12)9-11;1-10(2)8-11-6-7-12-4-3-5-13(12)9-11;1-9(2)7-10-3-4-12-11(8-10)13-5-6-14-12;1-9(2)7-10-3-4-12-11(8-10)5-6-13-12/h5-6,8,10,15H,7,9H2,1-4H3;5-6,9-10,14H,3-4,7-8H2,1-2H3;3-4,6,9H,5,7-8H2,1-2H3;2*5-6,9-10H,3-4,7-8H2,1-2H3;6-7,9-10H,3-5,8H2,1-2H3;3-4,8-9,13H,5-7H2,1-2H3;3-4,8-9H,5-7H2,1-2H3
• InChIKey: BKGWXVJTXCRZJR-UHFFFAOYSA-N
• XLogP: 24.40
• TPSA: 108.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 16
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1535.29
LogP ≤ 5	24.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(2-methylpropyl)-3,4-dihydro-1,4-benzoxazine;7-(2-methylpropyl)-4H-chromen-3-one;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;6-(2-methylpropyl)-3,4-dihydro-2H-1,4-benzoxazine;6-(2-methylpropyl)-3,4-dihydro-2H-chromene;7-(2-methylpropyl)-3,4-dihydro-2H-chromene;5-(2-methylpropyl)-2,3-dihydro-1H-indene;7-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline?

The IUPAC name of 2,2-dimethyl-6-(2-methylpropyl)-3,4-dihydro-1,4-benzoxazine;7-(2-methylpropyl)-4H-chromen-3-one;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;6-(2-methylpropyl)-3,4-dihydro-2H-1,4-benzoxazine;6-(2-methylpropyl)-3,4-dihydro-2H-chromene;7-(2-methylpropyl)-3,4-dihydro-2H-chromene;5-(2-methylpropyl)-2,3-dihydro-1H-indene;7-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline (CID 157375475) is 2,2-dimethyl-6-(2-methylpropyl)-3,4-dihydro-1,4-benzoxazine;7-(2-methylpropyl)-4H-chromen-3-one;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;6-(2-methylpropyl)-3,4-dihydro-2H-1,4-benzoxazine;6-(2-methylpropyl)-3,4-dihydro-2H-chromene;7-(2-methylpropyl)-3,4-dihydro-2H-chromene;5-(2-methylpropyl)-2,3-dihydro-1H-indene;7-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline.

What is the SMILES notation for 2,2-dimethyl-6-(2-methylpropyl)-3,4-dihydro-1,4-benzoxazine;7-(2-methylpropyl)-4H-chromen-3-one;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;6-(2-methylpropyl)-3,4-dihydro-2H-1,4-benzoxazine;6-(2-methylpropyl)-3,4-dihydro-2H-chromene;7-(2-methylpropyl)-3,4-dihydro-2H-chromene;5-(2-methylpropyl)-2,3-dihydro-1H-indene;7-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline?

The canonical SMILES for 2,2-dimethyl-6-(2-methylpropyl)-3,4-dihydro-1,4-benzoxazine;7-(2-methylpropyl)-4H-chromen-3-one;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;6-(2-methylpropyl)-3,4-dihydro-2H-1,4-benzoxazine;6-(2-methylpropyl)-3,4-dihydro-2H-chromene;7-(2-methylpropyl)-3,4-dihydro-2H-chromene;5-(2-methylpropyl)-2,3-dihydro-1H-indene;7-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline is CC(C)Cc1ccc2c(c1)CCC2.CC(C)Cc1ccc2c(c1)CCCO2.CC(C)Cc1ccc2c(c1)CCO2.CC(C)Cc1ccc2c(c1)NCC(C)(C)O2.CC(C)Cc1ccc2c(c1)NCCC2.CC(C)Cc1ccc2c(c1)NCCO2.CC(C)Cc1ccc2c(c1)OCC(=O)C2.CC(C)Cc1ccc2c(c1)OCCC2.

What is the InChIKey of 2,2-dimethyl-6-(2-methylpropyl)-3,4-dihydro-1,4-benzoxazine;7-(2-methylpropyl)-4H-chromen-3-one;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;6-(2-methylpropyl)-3,4-dihydro-2H-1,4-benzoxazine;6-(2-methylpropyl)-3,4-dihydro-2H-chromene;7-(2-methylpropyl)-3,4-dihydro-2H-chromene;5-(2-methylpropyl)-2,3-dihydro-1H-indene;7-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline?

The InChIKey is BKGWXVJTXCRZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO.C13H19N.C13H16O2.2C13H18O.C13H18.C12H17NO.C12H16O/c1-10(2)7-11-5-6-13-12(8-11)15-9-14(3,4)16-13;1-10(2)8-11-5-6-12-4-3-7-14-13(12)9-11;1-9(2)5-10-3-4-11-7-12(14)8-15-13(11)6-10;1-10(2)8-11-5-6-13-12(9-11)4-3-7-14-13;1-10(2)8-11-5-6-12-4-3-7-14-13(12)9-11;1-10(2)8-11-6-7-12-4-3-5-13(12)9-11;1-9(2)7-10-3-4-12-11(8-10)13-5-6-14-12;1-9(2)7-10-3-4-12-11(8-10)5-6-13-12/h5-6,8,10,15H,7,9H2,1-4H3;5-6,9-10,14H,3-4,7-8H2,1-2H3;3-4,6,9H,5,7-8H2,1-2H3;2*5-6,9-10H,3-4,7-8H2,1-2H3;6-7,9-10H,3-5,8H2,1-2H3;3-4,8-9,13H,5-7H2,1-2H3;3-4,8-9H,5-7H2,1-2H3.

What are the key properties of 2,2-dimethyl-6-(2-methylpropyl)-3,4-dihydro-1,4-benzoxazine;7-(2-methylpropyl)-4H-chromen-3-one;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;6-(2-methylpropyl)-3,4-dihydro-2H-1,4-benzoxazine;6-(2-methylpropyl)-3,4-dihydro-2H-chromene;7-(2-methylpropyl)-3,4-dihydro-2H-chromene;5-(2-methylpropyl)-2,3-dihydro-1H-indene;7-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline?

2,2-dimethyl-6-(2-methylpropyl)-3,4-dihydro-1,4-benzoxazine;7-(2-methylpropyl)-4H-chromen-3-one;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;6-(2-methylpropyl)-3,4-dihydro-2H-1,4-benzoxazine;6-(2-methylpropyl)-3,4-dihydro-2H-chromene;7-(2-methylpropyl)-3,4-dihydro-2H-chromene;5-(2-methylpropyl)-2,3-dihydro-1H-indene;7-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 1535.29 g/mol, XLogP of 24.40, 16 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-6-(2-methylpropyl)-3,4-dihydro-1,4-benzoxazine;7-(2-methylpropyl)-4H-chromen-3-one;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;6-(2-methylpropyl)-3,4-dihydro-2H-1,4-benzoxazine;6-(2-methylpropyl)-3,4-dihydro-2H-chromene;7-(2-methylpropyl)-3,4-dihydro-2H-chromene;5-(2-methylpropyl)-2,3-dihydro-1H-indene;7-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 157375475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).