3-amino-2-methyl-1-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)butan-1-one

C14H20N2O2 — CID 120501103

IUPAC3-amino-2-methyl-1-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)butan-1-one
SMILESCc1ccc2c(c1)OCCN2C(=O)C(C)C(C)N
InChIInChI=1S/C14H20N2O2/c1-9-4-5-12-13(8-9)18-7-6-16(12)14(17)10(2)11(3)15/h4-5,8,10-11H,6-7,15H2,1-3H3
InChIKeyBYWOEOXPLOUIHT-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.70
Rot. Bonds2

About 3-amino-2-methyl-1-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)butan-1-one

3-amino-2-methyl-1-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)butan-1-one (PubChem CID 120501103) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-amino-2-methyl-1-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)butan-1-one.

Molecular Properties

Compound Name3-amino-2-methyl-1-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)butan-1-one
PubChem CID120501103
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-amino-2-methyl-1-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)butan-1-one
SMILESCc1ccc2c(c1)OCCN2C(=O)C(C)C(C)N
InChIInChI=1S/C14H20N2O2/c1-9-4-5-12-13(8-9)18-7-6-16(12)14(17)10(2)11(3)15/h4-5,8,10-11H,6-7,15H2,1-3H3
InChIKeyBYWOEOXPLOUIHT-UHFFFAOYSA-N
XLogP1.70
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one
CID 83632908
2-(1-hydroxycyclopentyl)-1-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 111540324
3-(methylamino)-1-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one
CID 83632912
2-amino-1-(7-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-1-one
CID 121203488
N,N,6-trimethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 110639196
1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 12510541
[3-(2,2-dimethylpropyl)phenyl]-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 118372464
2-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine
CID 82143048
4-methyl-5-(7-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-1H-pyridin-2-one
CID 71919825
1-[7-(aminomethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-ethylbutan-1-one
CID 82339400
(2R)-N,N-dimethyl-2-[(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]propanamide
CID 124623677
(7-bromo-2,3-dihydro-1,4-benzoxazin-4-yl)-(4-methylphenyl)methanone
CID 84609318

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-1-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)butan-1-one?
The IUPAC name of 3-amino-2-methyl-1-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)butan-1-one (CID 120501103) is 3-amino-2-methyl-1-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)butan-1-one.
What is the SMILES notation for 3-amino-2-methyl-1-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)butan-1-one?
The canonical SMILES for 3-amino-2-methyl-1-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)butan-1-one is Cc1ccc2c(c1)OCCN2C(=O)C(C)C(C)N.
What is the InChIKey of 3-amino-2-methyl-1-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)butan-1-one?
The InChIKey is BYWOEOXPLOUIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-4-5-12-13(8-9)18-7-6-16(12)14(17)10(2)11(3)15/h4-5,8,10-11H,6-7,15H2,1-3H3.
What are the key properties of 3-amino-2-methyl-1-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)butan-1-one?
3-amino-2-methyl-1-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)butan-1-one has a molecular weight of 248.33 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-1-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)butan-1-one is sourced from PubChem (CID 120501103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).