2,3-dihydro-1,4-benzodioxin-3-ylmethanamine

C9H11NO2 — CID 15053

IUPAC2,3-dihydro-1,4-benzodioxin-3-ylmethanamine
SMILESNCC1COc2ccccc2O1
InChIInChI=1S/C9H11NO2/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,7H,5-6,10H2
InChIKeyJHNURUNMNRSGRO-UHFFFAOYSA-N
MW165.19 g/mol
LogP0.79
Rot. Bonds1

About 2,3-dihydro-1,4-benzodioxin-3-ylmethanamine

2,3-dihydro-1,4-benzodioxin-3-ylmethanamine (PubChem CID 15053) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-3-ylmethanamine.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-3-ylmethanamine
PubChem CID15053
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name2,3-dihydro-1,4-benzodioxin-3-ylmethanamine
SMILESNCC1COc2ccccc2O1
InChIInChI=1S/C9H11NO2/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,7H,5-6,10H2
InChIKeyJHNURUNMNRSGRO-UHFFFAOYSA-N
XLogP0.79
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine
CID 736477
ethane;3-ethyl-2,3-dihydro-1,4-benzodioxine
CID 54339181
(3R)-3-(2-chloroethyl)-2,3-dihydro-1,4-benzodioxine
CID 92980685
[(3R)-6-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine
CID 54112466
[(3S)-6-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine
CID 54112467
N'-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)propane-1,3-diamine
CID 10680551
[(3S)-6-chloro-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine;sulfane
CID 159919789
S-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]thiohydroxylamine
CID 89344288
(5-chloro-2,3-dihydro-1,4-benzodioxin-3-yl)methanamine
CID 167726638
3-(aminomethyl)-2,3-dihydro-1,4-benzodioxin-6-ol;hydrochloride
CID 18923890
2,3-dihydro-1,4-benzodioxin-3-ylmethanamine;1-(2-methoxyphenyl)-4-methylpiperidine
CID 70101267
(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanamine
CID 82527392

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-3-ylmethanamine?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-3-ylmethanamine (CID 15053) is 2,3-dihydro-1,4-benzodioxin-3-ylmethanamine.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-3-ylmethanamine?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-3-ylmethanamine is NCC1COc2ccccc2O1.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-3-ylmethanamine?
The InChIKey is JHNURUNMNRSGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,7H,5-6,10H2.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-3-ylmethanamine?
2,3-dihydro-1,4-benzodioxin-3-ylmethanamine has a molecular weight of 165.19 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-3-ylmethanamine is sourced from PubChem (CID 15053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).