6,7-dihydro-1,3-benzodioxol-5-ylmethanamine

C8H11NO2 — CID 123776275

IUPAC6,7-dihydro-1,3-benzodioxol-5-ylmethanamine
SMILESNCC1=CC2=C(CC1)OCO2
InChIInChI=1S/C8H11NO2/c9-4-6-1-2-7-8(3-6)11-5-10-7/h3H,1-2,4-5,9H2
InChIKeyHVNAOSYSRAUTPV-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.88
Rot. Bonds1

About 6,7-dihydro-1,3-benzodioxol-5-ylmethanamine

6,7-dihydro-1,3-benzodioxol-5-ylmethanamine (PubChem CID 123776275) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 6,7-dihydro-1,3-benzodioxol-5-ylmethanamine.

Molecular Properties

Compound Name6,7-dihydro-1,3-benzodioxol-5-ylmethanamine
PubChem CID123776275
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name6,7-dihydro-1,3-benzodioxol-5-ylmethanamine
SMILESNCC1=CC2=C(CC1)OCO2
InChIInChI=1S/C8H11NO2/c9-4-6-1-2-7-8(3-6)11-5-10-7/h3H,1-2,4-5,9H2
InChIKeyHVNAOSYSRAUTPV-UHFFFAOYSA-N
XLogP0.88
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(5-Cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)oxy]pentan-1-amine
CID 69691945
(2,4-Dimethoxycyclohexa-1,3-dien-1-yl)methanamine
CID 144467398
(3,4-Dimethoxycyclohexa-1,3-dien-1-yl)methanamine
CID 147667360
2-(4,5-Dihydro-1,3-benzodioxol-5-yl)ethanamine
CID 153656201
2-(3a-methoxy-4H-1,3-benzodioxol-5-yl)ethanamine
CID 156364938
1-(6,7-dihydro-1,3-benzodioxol-5-yl)-N-methylmethanamine
CID 164124203

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-1,3-benzodioxol-5-ylmethanamine?
The IUPAC name of 6,7-dihydro-1,3-benzodioxol-5-ylmethanamine (CID 123776275) is 6,7-dihydro-1,3-benzodioxol-5-ylmethanamine.
What is the SMILES notation for 6,7-dihydro-1,3-benzodioxol-5-ylmethanamine?
The canonical SMILES for 6,7-dihydro-1,3-benzodioxol-5-ylmethanamine is NCC1=CC2=C(CC1)OCO2.
What is the InChIKey of 6,7-dihydro-1,3-benzodioxol-5-ylmethanamine?
The InChIKey is HVNAOSYSRAUTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c9-4-6-1-2-7-8(3-6)11-5-10-7/h3H,1-2,4-5,9H2.
What are the key properties of 6,7-dihydro-1,3-benzodioxol-5-ylmethanamine?
6,7-dihydro-1,3-benzodioxol-5-ylmethanamine has a molecular weight of 153.18 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-1,3-benzodioxol-5-ylmethanamine is sourced from PubChem (CID 123776275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).