3-(2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-ol

C13H19NO2 — CID 71869574

IUPAC3-(2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-ol
SMILESCCC1CN(CCCO)c2ccccc2O1
InChIInChI=1S/C13H19NO2/c1-2-11-10-14(8-5-9-15)12-6-3-4-7-13(12)16-11/h3-4,6-7,11,15H,2,5,8-10H2,1H3
InChIKeyLVSMDFFWHYQCJY-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.05
Rot. Bonds4

About 3-(2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-ol

3-(2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-ol (PubChem CID 71869574) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-(2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-ol
PubChem CID71869574
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-(2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-ol
SMILESCCC1CN(CCCO)c2ccccc2O1
InChIInChI=1S/C13H19NO2/c1-2-11-10-14(8-5-9-15)12-6-3-4-7-13(12)16-11/h3-4,6-7,11,15H,2,5,8-10H2,1H3
InChIKeyLVSMDFFWHYQCJY-UHFFFAOYSA-N
XLogP2.05
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-ol?
The IUPAC name of 3-(2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-ol (CID 71869574) is 3-(2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-ol.
What is the SMILES notation for 3-(2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-ol?
The canonical SMILES for 3-(2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-ol is CCC1CN(CCCO)c2ccccc2O1.
What is the InChIKey of 3-(2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-ol?
The InChIKey is LVSMDFFWHYQCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-2-11-10-14(8-5-9-15)12-6-3-4-7-13(12)16-11/h3-4,6-7,11,15H,2,5,8-10H2,1H3.
What are the key properties of 3-(2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-ol?
3-(2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-ol has a molecular weight of 221.30 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-ol is sourced from PubChem (CID 71869574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).