2-amino-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanol

C11H15NO3 — CID 60869534

IUPAC2-amino-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanol
SMILESNCC(O)c1ccc2c(c1)OCCCO2
InChIInChI=1S/C11H15NO3/c12-7-9(13)8-2-3-10-11(6-8)15-5-1-4-14-10/h2-3,6,9,13H,1,4-5,7,12H2
InChIKeyZZBBTSWTLWQUHD-UHFFFAOYSA-N
MW209.24 g/mol
LogP0.84
Rot. Bonds2

About 2-amino-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanol

2-amino-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanol (PubChem CID 60869534) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 2-amino-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanol
PubChem CID60869534
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name2-amino-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanol
SMILESNCC(O)c1ccc2c(c1)OCCCO2
InChIInChI=1S/C11H15NO3/c12-7-9(13)8-2-3-10-11(6-8)15-5-1-4-14-10/h2-3,6,9,13H,1,4-5,7,12H2
InChIKeyZZBBTSWTLWQUHD-UHFFFAOYSA-N
XLogP0.84
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 7300390
(1S)-2-amino-1-(1,3-benzodioxol-5-yl)ethanol
CID 6992913
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanol
CID 82241106
2-amino-1-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)ethanol
CID 82241510
(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethane-1,2-diamine
CID 66516964
3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol
CID 65184600
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-hydroxybutanenitrile
CID 82082719
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(ethylamino)ethanol
CID 62775279
3-amino-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methoxybutan-1-ol
CID 112629895
(1R)-2-amino-1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanol
CID 95941521
methyl 4-amino-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butanoate
CID 66096414
3-(azepan-1-yl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-ol
CID 82105523

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanol?
The IUPAC name of 2-amino-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanol (CID 60869534) is 2-amino-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanol.
What is the SMILES notation for 2-amino-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanol?
The canonical SMILES for 2-amino-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanol is NCC(O)c1ccc2c(c1)OCCCO2.
What is the InChIKey of 2-amino-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanol?
The InChIKey is ZZBBTSWTLWQUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c12-7-9(13)8-2-3-10-11(6-8)15-5-1-4-14-10/h2-3,6,9,13H,1,4-5,7,12H2.
What are the key properties of 2-amino-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanol?
2-amino-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanol has a molecular weight of 209.24 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanol is sourced from PubChem (CID 60869534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).