5-amino-2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)heptan-4-ol

C15H22ClNO3 — CID 83922311

IUPAC5-amino-2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)heptan-4-ol
SMILESCCC(N)C(O)CC(C)c1cc2c(cc1Cl)OCCO2
InChIInChI=1S/C15H22ClNO3/c1-3-12(17)13(18)6-9(2)10-7-14-15(8-11(10)16)20-5-4-19-14/h7-9,12-13,18H,3-6,17H2,1-2H3
InChIKeyFGGNBEIEPDEBHJ-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.70
Rot. Bonds5

About 5-amino-2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)heptan-4-ol

5-amino-2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)heptan-4-ol (PubChem CID 83922311) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is 5-amino-2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)heptan-4-ol.

Molecular Properties

Compound Name5-amino-2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)heptan-4-ol
PubChem CID83922311
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC Name5-amino-2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)heptan-4-ol
SMILESCCC(N)C(O)CC(C)c1cc2c(cc1Cl)OCCO2
InChIInChI=1S/C15H22ClNO3/c1-3-12(17)13(18)6-9(2)10-7-14-15(8-11(10)16)20-5-4-19-14/h7-9,12-13,18H,3-6,17H2,1-2H3
InChIKeyFGGNBEIEPDEBHJ-UHFFFAOYSA-N
XLogP2.70
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-amino-2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)heptan-4-ol with MolForge

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Related Compounds

(1R)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine
CID 82758605
(1S)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol
CID 82759401
1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-ethylbutan-1-ol
CID 61082388
1-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-methylpentan-1-ol
CID 114875916
4-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)hexane-1,2-diol
CID 83922318
3-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)butan-1-amine
CID 117356386
1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-ol
CID 61082590
5-amino-2-(5-chloro-2,4-dimethoxyphenyl)heptan-4-ol
CID 83943371
ethyl 2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyacetate
CID 117434344
6-chloro-7-[(Z)-hept-4-en-2-yl]-2,3-dihydro-1,4-benzodioxine
CID 83922297
1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N,3-dimethylpentan-1-amine
CID 114874266
1-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanol
CID 61083339

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)heptan-4-ol?
The IUPAC name of 5-amino-2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)heptan-4-ol (CID 83922311) is 5-amino-2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)heptan-4-ol.
What is the SMILES notation for 5-amino-2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)heptan-4-ol?
The canonical SMILES for 5-amino-2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)heptan-4-ol is CCC(N)C(O)CC(C)c1cc2c(cc1Cl)OCCO2.
What is the InChIKey of 5-amino-2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)heptan-4-ol?
The InChIKey is FGGNBEIEPDEBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3/c1-3-12(17)13(18)6-9(2)10-7-14-15(8-11(10)16)20-5-4-19-14/h7-9,12-13,18H,3-6,17H2,1-2H3.
What are the key properties of 5-amino-2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)heptan-4-ol?
5-amino-2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)heptan-4-ol has a molecular weight of 299.80 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)heptan-4-ol is sourced from PubChem (CID 83922311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).