3-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)propan-1-ol

C12H17NO2 — CID 83777474

IUPAC3-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)propan-1-ol
SMILESCN1CCOc2cc(CCCO)ccc21
InChIInChI=1S/C12H17NO2/c1-13-6-8-15-12-9-10(3-2-7-14)4-5-11(12)13/h4-5,9,14H,2-3,6-8H2,1H3
InChIKeyIDVQCFLERIQGLO-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.44
Rot. Bonds3

About 3-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)propan-1-ol

3-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)propan-1-ol (PubChem CID 83777474) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)propan-1-ol.

Molecular Properties

Compound Name3-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)propan-1-ol
PubChem CID83777474
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)propan-1-ol
SMILESCN1CCOc2cc(CCCO)ccc21
InChIInChI=1S/C12H17NO2/c1-13-6-8-15-12-9-10(3-2-7-14)4-5-11(12)13/h4-5,9,14H,2-3,6-8H2,1H3
InChIKeyIDVQCFLERIQGLO-UHFFFAOYSA-N
XLogP1.44
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-7-(3-morpholin-4-ylpropyl)-2,3-dihydro-1,4-benzoxazine
CID 170869910
7-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazine;formaldehyde
CID 178062426
7-(isocyanatomethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine
CID 117292430
methyl 5-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)pentanoate
CID 82533702
(4-hexyl-2,3-dihydro-1,4-benzoxazin-7-yl)methanol
CID 82058002
4-methyl-7-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzoxazine
CID 117368648
7-ethynyl-4-methyl-2,3-dihydro-1,4-benzoxazine
CID 130133273
7-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazine;5-propan-2-yl-1,3-benzodioxole
CID 162748786
(5S)-3-(aminomethyl)-N-[3-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)propyl]-5-morpholin-4-yl-2-oxo-1,3-oxazolidine-4-carbothioamide
CID 150972121
[4-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazin-7-yl]methanol
CID 82058003
3-[3-bromo-4-(4-methylpiperazin-1-yl)phenyl]propan-1-ol
CID 117498580
4-methyl-2,3-dihydro-1,4-benzoxazine;propane
CID 143401269

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)propan-1-ol?
The IUPAC name of 3-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)propan-1-ol (CID 83777474) is 3-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)propan-1-ol.
What is the SMILES notation for 3-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)propan-1-ol?
The canonical SMILES for 3-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)propan-1-ol is CN1CCOc2cc(CCCO)ccc21.
What is the InChIKey of 3-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)propan-1-ol?
The InChIKey is IDVQCFLERIQGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-13-6-8-15-12-9-10(3-2-7-14)4-5-11(12)13/h4-5,9,14H,2-3,6-8H2,1H3.
What are the key properties of 3-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)propan-1-ol?
3-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)propan-1-ol has a molecular weight of 207.27 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)propan-1-ol is sourced from PubChem (CID 83777474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).