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

C13H19NO2 — CID 82354906

IUPAC1-(2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanol
SMILESCC(O)c1ccc2c(c1)NCC(C(C)C)O2
InChIInChI=1S/C13H19NO2/c1-8(2)13-7-14-11-6-10(9(3)15)4-5-12(11)16-13/h4-6,8-9,13-15H,7H2,1-3H3
InChIKeyKIPRJEZSWPDJFZ-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.57
Rot. Bonds2

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

1-(2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanol (PubChem CID 82354906) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanol.

Molecular Properties

Compound Name1-(2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanol
PubChem CID82354906
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-(2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanol
SMILESCC(O)c1ccc2c(c1)NCC(C(C)C)O2
InChIInChI=1S/C13H19NO2/c1-8(2)13-7-14-11-6-10(9(3)15)4-5-12(11)16-13/h4-6,8-9,13-15H,7H2,1-3H3
InChIKeyKIPRJEZSWPDJFZ-UHFFFAOYSA-N
XLogP2.57
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanol?
The IUPAC name of 1-(2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanol (CID 82354906) is 1-(2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanol.
What is the SMILES notation for 1-(2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanol?
The canonical SMILES for 1-(2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanol is CC(O)c1ccc2c(c1)NCC(C(C)C)O2.
What is the InChIKey of 1-(2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanol?
The InChIKey is KIPRJEZSWPDJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-8(2)13-7-14-11-6-10(9(3)15)4-5-12(11)16-13/h4-6,8-9,13-15H,7H2,1-3H3.
What are the key properties of 1-(2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanol?
1-(2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanol has a molecular weight of 221.30 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanol is sourced from PubChem (CID 82354906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).