5-(1-aminocyclohexyl)-6-chloro-2,3-dihydro-1,4-benzodioxin-7-ol

C14H18ClNO3 — CID 117456215

IUPAC5-(1-aminocyclohexyl)-6-chloro-2,3-dihydro-1,4-benzodioxin-7-ol
SMILESNC1(c2c(Cl)c(O)cc3c2OCCO3)CCCCC1
InChIInChI=1S/C14H18ClNO3/c15-12-9(17)8-10-13(19-7-6-18-10)11(12)14(16)4-2-1-3-5-14/h8,17H,1-7,16H2
InChIKeyGWZMTGQEWYLQNZ-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.93
Rot. Bonds1

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

5-(1-aminocyclohexyl)-6-chloro-2,3-dihydro-1,4-benzodioxin-7-ol (PubChem CID 117456215) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 5-(1-aminocyclohexyl)-6-chloro-2,3-dihydro-1,4-benzodioxin-7-ol.

Molecular Properties

Compound Name5-(1-aminocyclohexyl)-6-chloro-2,3-dihydro-1,4-benzodioxin-7-ol
PubChem CID117456215
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name5-(1-aminocyclohexyl)-6-chloro-2,3-dihydro-1,4-benzodioxin-7-ol
SMILESNC1(c2c(Cl)c(O)cc3c2OCCO3)CCCCC1
InChIInChI=1S/C14H18ClNO3/c15-12-9(17)8-10-13(19-7-6-18-10)11(12)14(16)4-2-1-3-5-14/h8,17H,1-7,16H2
InChIKeyGWZMTGQEWYLQNZ-UHFFFAOYSA-N
XLogP2.93
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1-aminocyclopropyl)methyl]-6-chloro-2,3-dihydro-1,4-benzodioxin-7-ol
CID 117392338
5-(1-aminocyclopropyl)-7-bromo-2,3-dihydro-1,4-benzodioxin-6-ol
CID 84813480
6-(1-aminocyclopentyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-ol
CID 117376057
6-(1-aminocyclopentyl)-5-chlorobenzene-1,2,4-triol
CID 117361092
1-(6-chloro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-amine
CID 117392155
1-(5-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)cyclopentan-1-amine
CID 117422901
1-(7-chloro-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutan-1-amine
CID 117422934
1-(6-chloro-7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)cyclohexan-1-amine
CID 117482710
1-(4-chloro-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)cyclohexan-1-amine
CID 117474079
1-(6-fluoro-7-hydroxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclohexane-1-carboxylic acid
CID 117477459
5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-ol
CID 84692201
1-(4-chloro-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)cyclopentan-1-amine
CID 117448866

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminocyclohexyl)-6-chloro-2,3-dihydro-1,4-benzodioxin-7-ol?
The IUPAC name of 5-(1-aminocyclohexyl)-6-chloro-2,3-dihydro-1,4-benzodioxin-7-ol (CID 117456215) is 5-(1-aminocyclohexyl)-6-chloro-2,3-dihydro-1,4-benzodioxin-7-ol.
What is the SMILES notation for 5-(1-aminocyclohexyl)-6-chloro-2,3-dihydro-1,4-benzodioxin-7-ol?
The canonical SMILES for 5-(1-aminocyclohexyl)-6-chloro-2,3-dihydro-1,4-benzodioxin-7-ol is NC1(c2c(Cl)c(O)cc3c2OCCO3)CCCCC1.
What is the InChIKey of 5-(1-aminocyclohexyl)-6-chloro-2,3-dihydro-1,4-benzodioxin-7-ol?
The InChIKey is GWZMTGQEWYLQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c15-12-9(17)8-10-13(19-7-6-18-10)11(12)14(16)4-2-1-3-5-14/h8,17H,1-7,16H2.
What are the key properties of 5-(1-aminocyclohexyl)-6-chloro-2,3-dihydro-1,4-benzodioxin-7-ol?
5-(1-aminocyclohexyl)-6-chloro-2,3-dihydro-1,4-benzodioxin-7-ol has a molecular weight of 283.75 g/mol, XLogP of 2.93, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminocyclohexyl)-6-chloro-2,3-dihydro-1,4-benzodioxin-7-ol is sourced from PubChem (CID 117456215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).