2-(3,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanol

C12H17NO2 — CID 84620897

IUPAC2-(3,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanol
SMILESCc1ccc2c(c1)NC(C)C(CCO)O2
InChIInChI=1S/C12H17NO2/c1-8-3-4-12-10(7-8)13-9(2)11(15-12)5-6-14/h3-4,7,9,11,13-14H,5-6H2,1-2H3
InChIKeyXQGVXFVRZRUHCK-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.94
Rot. Bonds2

About 2-(3,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanol

2-(3,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanol (PubChem CID 84620897) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-(3,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanol.

Molecular Properties

Compound Name2-(3,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanol
PubChem CID84620897
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-(3,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanol
SMILESCc1ccc2c(c1)NC(C)C(CCO)O2
InChIInChI=1S/C12H17NO2/c1-8-3-4-12-10(7-8)13-9(2)11(15-12)5-6-14/h3-4,7,9,11,13-14H,5-6H2,1-2H3
InChIKeyXQGVXFVRZRUHCK-UHFFFAOYSA-N
XLogP1.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetonitrile
CID 84619869
methyl 2-(2-hydroxyethyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate
CID 84634284
1-[2-(2-aminoethyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl]ethanone
CID 84627787
2-(3-methyl-6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanamine
CID 84627917
2-(6-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanamine
CID 84623698
1-[3-methyl-2-[2-(methylamino)ethyl]-3,4-dihydro-2H-1,4-benzoxazin-6-yl]ethanone
CID 84633172
(3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol
CID 84618456
2-(aminomethyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine
CID 84619169
2-(8-chloro-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanol
CID 84625365
2-(6-tert-butyl-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetic acid
CID 84639220
1-(6-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N-methylmethanamine
CID 84621363
3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylic acid
CID 84628313

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanol?
The IUPAC name of 2-(3,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanol (CID 84620897) is 2-(3,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanol.
What is the SMILES notation for 2-(3,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanol?
The canonical SMILES for 2-(3,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanol is Cc1ccc2c(c1)NC(C)C(CCO)O2.
What is the InChIKey of 2-(3,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanol?
The InChIKey is XQGVXFVRZRUHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8-3-4-12-10(7-8)13-9(2)11(15-12)5-6-14/h3-4,7,9,11,13-14H,5-6H2,1-2H3.
What are the key properties of 2-(3,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanol?
2-(3,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanol has a molecular weight of 207.27 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanol is sourced from PubChem (CID 84620897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).