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

C11H16N2O2 — CID 84621114

IUPAC3-(6-amino-3,4-dihydro-2H-1,4-benzoxazin-3-yl)propan-1-ol
SMILESNc1ccc2c(c1)NC(CCCO)CO2
InChIInChI=1S/C11H16N2O2/c12-8-3-4-11-10(6-8)13-9(7-15-11)2-1-5-14/h3-4,6,9,13-14H,1-2,5,7,12H2
InChIKeyPQVZRGZXARISKL-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.21
Rot. Bonds3

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

3-(6-amino-3,4-dihydro-2H-1,4-benzoxazin-3-yl)propan-1-ol (PubChem CID 84621114) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-(6-amino-3,4-dihydro-2H-1,4-benzoxazin-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-(6-amino-3,4-dihydro-2H-1,4-benzoxazin-3-yl)propan-1-ol
PubChem CID84621114
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-(6-amino-3,4-dihydro-2H-1,4-benzoxazin-3-yl)propan-1-ol
SMILESNc1ccc2c(c1)NC(CCCO)CO2
InChIInChI=1S/C11H16N2O2/c12-8-3-4-11-10(6-8)13-9(7-15-11)2-1-5-14/h3-4,6,9,13-14H,1-2,5,7,12H2
InChIKeyPQVZRGZXARISKL-UHFFFAOYSA-N
XLogP1.21
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(7-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)propan-1-ol
CID 84620908
[(3S)-7-amino-3,4-dihydro-2H-1,4-benzoxazin-3-yl]methanol
CID 59020655
3-(2-aminoethyl)-3,4-dihydro-2H-1,4-benzoxazin-7-amine
CID 84619167
(3S)-7-amino-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-ol
CID 141423132
3-(3,4-dihydro-2H-benzo[h][1,4]benzoxazin-3-yl)propan-1-ol
CID 84630884
(6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine
CID 84623706
3-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-amine
CID 115098724
(3S)-3-pentoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-amine
CID 146592606
[(3S)-6-amino-2,3-dihydro-1,4-benzodioxin-3-yl]methanol
CID 131182312
3-propyl-3,4-dihydro-2H-1,4-benzoxazine
CID 20571251
2-(6-bromo-3,4-dihydro-2H-1,4-benzoxazin-3-yl)acetonitrile
CID 84634836
(3R)-7-amino-3,4-dihydro-2H-1,5-benzodioxepin-3-ol
CID 129451298

Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-3,4-dihydro-2H-1,4-benzoxazin-3-yl)propan-1-ol?
The IUPAC name of 3-(6-amino-3,4-dihydro-2H-1,4-benzoxazin-3-yl)propan-1-ol (CID 84621114) is 3-(6-amino-3,4-dihydro-2H-1,4-benzoxazin-3-yl)propan-1-ol.
What is the SMILES notation for 3-(6-amino-3,4-dihydro-2H-1,4-benzoxazin-3-yl)propan-1-ol?
The canonical SMILES for 3-(6-amino-3,4-dihydro-2H-1,4-benzoxazin-3-yl)propan-1-ol is Nc1ccc2c(c1)NC(CCCO)CO2.
What is the InChIKey of 3-(6-amino-3,4-dihydro-2H-1,4-benzoxazin-3-yl)propan-1-ol?
The InChIKey is PQVZRGZXARISKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c12-8-3-4-11-10(6-8)13-9(7-15-11)2-1-5-14/h3-4,6,9,13-14H,1-2,5,7,12H2.
What are the key properties of 3-(6-amino-3,4-dihydro-2H-1,4-benzoxazin-3-yl)propan-1-ol?
3-(6-amino-3,4-dihydro-2H-1,4-benzoxazin-3-yl)propan-1-ol has a molecular weight of 208.26 g/mol, XLogP of 1.21, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-3,4-dihydro-2H-1,4-benzoxazin-3-yl)propan-1-ol is sourced from PubChem (CID 84621114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).