6-(2-aminopropyl)-4-chloro-1,3-benzodioxol-5-ol

C10H12ClNO3 — CID 117331311

IUPAC6-(2-aminopropyl)-4-chloro-1,3-benzodioxol-5-ol
SMILESCC(N)Cc1cc2c(c(Cl)c1O)OCO2
InChIInChI=1S/C10H12ClNO3/c1-5(12)2-6-3-7-10(15-4-14-7)8(11)9(6)13/h3,5,13H,2,4,12H2,1H3
InChIKeyFUBOSXVTSXPPIV-UHFFFAOYSA-N
MW229.66 g/mol
LogP1.66
Rot. Bonds2

About 6-(2-aminopropyl)-4-chloro-1,3-benzodioxol-5-ol

6-(2-aminopropyl)-4-chloro-1,3-benzodioxol-5-ol (PubChem CID 117331311) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is 6-(2-aminopropyl)-4-chloro-1,3-benzodioxol-5-ol.

Molecular Properties

Compound Name6-(2-aminopropyl)-4-chloro-1,3-benzodioxol-5-ol
PubChem CID117331311
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Name6-(2-aminopropyl)-4-chloro-1,3-benzodioxol-5-ol
SMILESCC(N)Cc1cc2c(c(Cl)c1O)OCO2
InChIInChI=1S/C10H12ClNO3/c1-5(12)2-6-3-7-10(15-4-14-7)8(11)9(6)13/h3,5,13H,2,4,12H2,1H3
InChIKeyFUBOSXVTSXPPIV-UHFFFAOYSA-N
XLogP1.66
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-aminopropyl)-4-bromo-1,3-benzodioxol-5-ol
CID 117437377
4-chloro-6-(hydroxymethyl)-1,3-benzodioxol-5-ol
CID 84671070
1-(6,7-dimethyl-1,3-benzodioxol-5-yl)propan-2-amine
CID 117296424
7-(2-aminopropyl)-5-bromo-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117464914
1-(7-chloro-6-ethyl-1,3-benzodioxol-5-yl)propan-2-ol
CID 117358658
2-amino-2-(7-chloro-6-hydroxy-1,3-benzodioxol-5-yl)acetic acid
CID 84705250
7-(aminomethyl)-5-chloro-2,3-dihydro-1,4-benzodioxin-6-ol
CID 84681333
4-(7-chloro-6-hydroxy-1,3-benzodioxol-5-yl)butanoic acid
CID 117400199
7-(2-aminopropyl)-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117298618
1-(7-bromo-4-methyl-1,3-benzodioxol-5-yl)propan-2-amine
CID 117432619
6-(2-aminopropyl)-2-chloro-3,4-dimethoxyphenol
CID 117366752
1-(6-chloro-4H-1,3-benzodioxin-8-yl)propan-2-amine
CID 83893022

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopropyl)-4-chloro-1,3-benzodioxol-5-ol?
The IUPAC name of 6-(2-aminopropyl)-4-chloro-1,3-benzodioxol-5-ol (CID 117331311) is 6-(2-aminopropyl)-4-chloro-1,3-benzodioxol-5-ol.
What is the SMILES notation for 6-(2-aminopropyl)-4-chloro-1,3-benzodioxol-5-ol?
The canonical SMILES for 6-(2-aminopropyl)-4-chloro-1,3-benzodioxol-5-ol is CC(N)Cc1cc2c(c(Cl)c1O)OCO2.
What is the InChIKey of 6-(2-aminopropyl)-4-chloro-1,3-benzodioxol-5-ol?
The InChIKey is FUBOSXVTSXPPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3/c1-5(12)2-6-3-7-10(15-4-14-7)8(11)9(6)13/h3,5,13H,2,4,12H2,1H3.
What are the key properties of 6-(2-aminopropyl)-4-chloro-1,3-benzodioxol-5-ol?
6-(2-aminopropyl)-4-chloro-1,3-benzodioxol-5-ol has a molecular weight of 229.66 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopropyl)-4-chloro-1,3-benzodioxol-5-ol is sourced from PubChem (CID 117331311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).