2,3-dihydro-1,4-benzodioxin-5-ylmethanamine;hydrochloride

C9H12ClNO2 — CID 2795039

IUPAC2,3-dihydro-1,4-benzodioxin-5-ylmethanamine;hydrochloride
SMILESCl.NCc1cccc2c1OCCO2
InChIInChI=1S/C9H11NO2.ClH/c10-6-7-2-1-3-8-9(7)12-5-4-11-8;/h1-3H,4-6,10H2;1H
InChIKeyDWHMQJTVRVLJNL-UHFFFAOYSA-N
MW201.65 g/mol
LogP1.34
Rot. Bonds1

About 2,3-dihydro-1,4-benzodioxin-5-ylmethanamine;hydrochloride

2,3-dihydro-1,4-benzodioxin-5-ylmethanamine;hydrochloride (PubChem CID 2795039) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-5-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-5-ylmethanamine;hydrochloride
PubChem CID2795039
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Name2,3-dihydro-1,4-benzodioxin-5-ylmethanamine;hydrochloride
SMILESCl.NCc1cccc2c1OCCO2
InChIInChI=1S/C9H11NO2.ClH/c10-6-7-2-1-3-8-9(7)12-5-4-11-8;/h1-3H,4-6,10H2;1H
InChIKeyDWHMQJTVRVLJNL-UHFFFAOYSA-N
XLogP1.34
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)propane-1,2-diamine
CID 104867725
N'-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 66568533
5-(3-bromopropyl)-2,3-dihydro-1,4-benzodioxine
CID 11780152
2-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanimidamide
CID 83676356
2-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-3-methylbutane-1,2-diamine
CID 114176310
2-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)propanedioic acid
CID 22418952
5-(4-methylpentyl)-2,3-dihydro-1,4-benzodioxine
CID 177208760
5-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,3-dihydro-1,4-benzodioxine
CID 68501402
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4-fluoroaniline
CID 43583494
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpropan-1-amine
CID 43583302
1-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)methanamine
CID 43583314
2,3-dihydro-1,4-benzodioxin-5-amine;ethane
CID 170590929

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-5-ylmethanamine;hydrochloride?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-5-ylmethanamine;hydrochloride (CID 2795039) is 2,3-dihydro-1,4-benzodioxin-5-ylmethanamine;hydrochloride.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-5-ylmethanamine;hydrochloride?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-5-ylmethanamine;hydrochloride is Cl.NCc1cccc2c1OCCO2.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-5-ylmethanamine;hydrochloride?
The InChIKey is DWHMQJTVRVLJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.ClH/c10-6-7-2-1-3-8-9(7)12-5-4-11-8;/h1-3H,4-6,10H2;1H.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-5-ylmethanamine;hydrochloride?
2,3-dihydro-1,4-benzodioxin-5-ylmethanamine;hydrochloride has a molecular weight of 201.65 g/mol, XLogP of 1.34, 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-5-ylmethanamine;hydrochloride is sourced from PubChem (CID 2795039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).