3-amino-1-(4-ethyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-ol

C13H20N2O2 — CID 82340030

IUPAC3-amino-1-(4-ethyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-ol
SMILESCCN1CCOc2ccc(C(O)CCN)cc21
InChIInChI=1S/C13H20N2O2/c1-2-15-7-8-17-13-4-3-10(9-11(13)15)12(16)5-6-14/h3-4,9,12,16H,2,5-8,14H2,1H3
InChIKeySZNKQTAHPSAKKJ-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.29
Rot. Bonds4

About 3-amino-1-(4-ethyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-ol

3-amino-1-(4-ethyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-ol (PubChem CID 82340030) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-amino-1-(4-ethyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(4-ethyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-ol
PubChem CID82340030
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-amino-1-(4-ethyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-ol
SMILESCCN1CCOc2ccc(C(O)CCN)cc21
InChIInChI=1S/C13H20N2O2/c1-2-15-7-8-17-13-4-3-10(9-11(13)15)12(16)5-6-14/h3-4,9,12,16H,2,5-8,14H2,1H3
InChIKeySZNKQTAHPSAKKJ-UHFFFAOYSA-N
XLogP1.29
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.29
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
4-amino-1-[4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]butan-1-ol
CID 82340098
4-amino-1-(4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)butan-1-ol
CID 82340154
3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol
CID 65184600
2-(4-ethyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanamine
CID 82340042
(1R)-2-amino-1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanol
CID 95941521
4-ethyl-6-fluoro-2,3-dihydro-1,4-benzoxazine
CID 89030466
2-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfonyl]ethanamine
CID 82355062
2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanamine
CID 82096930
2-amino-1-(4-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)ethanol
CID 82340302
2-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethanamine
CID 83754217
3-amino-1-(2-ethyl-1,3-dihydroisoindol-5-yl)propan-1-ol
CID 84787556

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-ethyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-ol?
The IUPAC name of 3-amino-1-(4-ethyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-ol (CID 82340030) is 3-amino-1-(4-ethyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(4-ethyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-ol?
The canonical SMILES for 3-amino-1-(4-ethyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-ol is CCN1CCOc2ccc(C(O)CCN)cc21.
What is the InChIKey of 3-amino-1-(4-ethyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-ol?
The InChIKey is SZNKQTAHPSAKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-15-7-8-17-13-4-3-10(9-11(13)15)12(16)5-6-14/h3-4,9,12,16H,2,5-8,14H2,1H3.
What are the key properties of 3-amino-1-(4-ethyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-ol?
3-amino-1-(4-ethyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-ol has a molecular weight of 236.31 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-ethyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-ol is sourced from PubChem (CID 82340030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).