2-(dimethylamino)-1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)propan-1-one

C15H22N2O2 — CID 82261019

IUPAC2-(dimethylamino)-1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)propan-1-one
SMILESCC(C(=O)c1ccc2c(c1)NCC(C)(C)O2)N(C)C
InChIInChI=1S/C15H22N2O2/c1-10(17(4)5)14(18)11-6-7-13-12(8-11)16-9-15(2,3)19-13/h6-8,10,16H,9H2,1-5H3
InChIKeyGSTUYVYWGIWNIJ-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.40
Rot. Bonds3

About 2-(dimethylamino)-1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)propan-1-one

2-(dimethylamino)-1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)propan-1-one (PubChem CID 82261019) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)propan-1-one.

Molecular Properties

Compound Name2-(dimethylamino)-1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)propan-1-one
PubChem CID82261019
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-(dimethylamino)-1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)propan-1-one
SMILESCC(C(=O)c1ccc2c(c1)NCC(C)(C)O2)N(C)C
InChIInChI=1S/C15H22N2O2/c1-10(17(4)5)14(18)11-6-7-13-12(8-11)16-9-15(2,3)19-13/h6-8,10,16H,9H2,1-5H3
InChIKeyGSTUYVYWGIWNIJ-UHFFFAOYSA-N
XLogP2.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-2-(N-methylanilino)propan-1-one
CID 82261022
2-(cyclopentylamino)-1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)propan-1-one
CID 82261767
1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-2-(3-hydroxypropylamino)propan-1-one
CID 82261755
1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 82260997
1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-2-(hexylamino)ethanone
CID 82261734
2-(dimethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one
CID 82256351
2,2-dimethyl-3,4-dihydro-1,4-benzoxazine-6-carbonitrile
CID 10535622
2,2-dimethyl-6-phenyl-3,4-dihydro-1,4-benzoxazine
CID 83789523
methyl 2-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-7-yl)acetate
CID 156566217
2-[2-(cyclohexen-1-yl)ethylamino]-1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)ethanone
CID 82261747
N,N-diethyl-2,2-dimethyl-3,4-dihydro-1,4-benzoxazine-6-sulfonamide
CID 82098791
5-[(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)sulfanyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-2-carbaldehyde
CID 138637458

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)propan-1-one?
The IUPAC name of 2-(dimethylamino)-1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)propan-1-one (CID 82261019) is 2-(dimethylamino)-1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)propan-1-one.
What is the SMILES notation for 2-(dimethylamino)-1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)propan-1-one?
The canonical SMILES for 2-(dimethylamino)-1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)propan-1-one is CC(C(=O)c1ccc2c(c1)NCC(C)(C)O2)N(C)C.
What is the InChIKey of 2-(dimethylamino)-1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)propan-1-one?
The InChIKey is GSTUYVYWGIWNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10(17(4)5)14(18)11-6-7-13-12(8-11)16-9-15(2,3)19-13/h6-8,10,16H,9H2,1-5H3.
What are the key properties of 2-(dimethylamino)-1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)propan-1-one?
2-(dimethylamino)-1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)propan-1-one has a molecular weight of 262.35 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)propan-1-one is sourced from PubChem (CID 82261019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).