(1R)-2-amino-1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanol

C11H16N2O2 — CID 95941521

IUPAC(1R)-2-amino-1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanol
SMILESCN1CCOc2ccc([C@@H](O)CN)cc21
InChIInChI=1S/C11H16N2O2/c1-13-4-5-15-11-3-2-8(6-9(11)13)10(14)7-12/h2-3,6,10,14H,4-5,7,12H2,1H3/t10-/m0/s1
InChIKeyCJMGSSBYBYCBHG-JTQLQIEISA-N
MW208.26 g/mol
LogP0.51
Rot. Bonds2

About (1R)-2-amino-1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanol

(1R)-2-amino-1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanol (PubChem CID 95941521) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (1R)-2-amino-1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanol.

Molecular Properties

Compound Name(1R)-2-amino-1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanol
PubChem CID95941521
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(1R)-2-amino-1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanol
SMILESCN1CCOc2ccc([C@@H](O)CN)cc21
InChIInChI=1S/C11H16N2O2/c1-13-4-5-15-11-3-2-8(6-9(11)13)10(14)7-12/h2-3,6,10,14H,4-5,7,12H2,1H3/t10-/m0/s1
InChIKeyCJMGSSBYBYCBHG-JTQLQIEISA-N
XLogP0.51
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-3-amino-1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-ol
CID 95941519
(1R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 7300390
2-amino-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanol
CID 60869534
4-amino-1-(4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)butan-1-ol
CID 82340154
3-amino-1-(4-ethyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-ol
CID 82340030
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanol
CID 82241106
4-amino-1-[4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]butan-1-ol
CID 82340098
(1S)-2-amino-1-(1,3-benzodioxol-5-yl)ethanol
CID 6992913
2-amino-1-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)ethanol
CID 82241510
1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-2-amine
CID 82340016
4,6-dimethyl-2,3-dihydro-1,4-benzoxazine;ethane
CID 90795245
ethane;6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine
CID 145415820

Frequently Asked Questions

What is the IUPAC name of (1R)-2-amino-1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanol?
The IUPAC name of (1R)-2-amino-1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanol (CID 95941521) is (1R)-2-amino-1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanol.
What is the SMILES notation for (1R)-2-amino-1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanol?
The canonical SMILES for (1R)-2-amino-1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanol is CN1CCOc2ccc([C@@H](O)CN)cc21.
What is the InChIKey of (1R)-2-amino-1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanol?
The InChIKey is CJMGSSBYBYCBHG-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16N2O2/c1-13-4-5-15-11-3-2-8(6-9(11)13)10(14)7-12/h2-3,6,10,14H,4-5,7,12H2,1H3/t10-/m0/s1.
What are the key properties of (1R)-2-amino-1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanol?
(1R)-2-amino-1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanol has a molecular weight of 208.26 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-amino-1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanol is sourced from PubChem (CID 95941521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).