N,N-dimethyl-1,3-benzodioxol-2-amine

C9H11NO2 — CID 4271632

IUPACN,N-dimethyl-1,3-benzodioxol-2-amine
SMILESCN(C)C1Oc2ccccc2O1
InChIInChI=1S/C9H11NO2/c1-10(2)9-11-7-5-3-4-6-8(7)12-9/h3-6,9H,1-2H3
InChIKeyPTRJIHOWWFCGLZ-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.30
Rot. Bonds1

About N,N-dimethyl-1,3-benzodioxol-2-amine

N,N-dimethyl-1,3-benzodioxol-2-amine (PubChem CID 4271632) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is N,N-dimethyl-1,3-benzodioxol-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-1,3-benzodioxol-2-amine
PubChem CID4271632
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC NameN,N-dimethyl-1,3-benzodioxol-2-amine
SMILESCN(C)C1Oc2ccccc2O1
InChIInChI=1S/C9H11NO2/c1-10(2)9-11-7-5-3-4-6-8(7)12-9/h3-6,9H,1-2H3
InChIKeyPTRJIHOWWFCGLZ-UHFFFAOYSA-N
XLogP1.30
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1aR,7aS)-1a,7a-dihydrooxireno[2,3-b][1,4]benzodioxine
CID 10534823
(2R,3R)-2,3-dihydro-1,4-benzodioxine-2,3-diol
CID 853425
2-N,4-N-didecyl-2-N,4-N-diethyl-1,3,5-benzotrioxepine-2,4-diamine
CID 139952563
(3S)-N-methyl-2,3-dihydro-1,4-benzodioxin-3-amine
CID 94841715
(3R)-3-[(2S)-oxiran-2-yl]-2,3-dihydro-1,4-benzodioxine
CID 12736709
N-ethyl-1,3-benzodioxol-2-amine
CID 91350039
2-propyl-1,3-benzodioxole;hydrochloride
CID 172752983
N-ethyl-N-methyl-2,3-dihydro-1-benzofuran-2-amine
CID 70261253
1,3-benzodioxol-2-ylboronic acid
CID 54099086
tris(dibenzo-p-dioxin);heptakis(N,N-dimethylethanamine);ethane
CID 160928703
6b-methyl-1aH-oxireno[2,3-b][1]benzofuran
CID 54113383
N,N-dimethyl-2,3-dihydro-1-benzofuran-3-amine
CID 45088771

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1,3-benzodioxol-2-amine?
The IUPAC name of N,N-dimethyl-1,3-benzodioxol-2-amine (CID 4271632) is N,N-dimethyl-1,3-benzodioxol-2-amine.
What is the SMILES notation for N,N-dimethyl-1,3-benzodioxol-2-amine?
The canonical SMILES for N,N-dimethyl-1,3-benzodioxol-2-amine is CN(C)C1Oc2ccccc2O1.
What is the InChIKey of N,N-dimethyl-1,3-benzodioxol-2-amine?
The InChIKey is PTRJIHOWWFCGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-10(2)9-11-7-5-3-4-6-8(7)12-9/h3-6,9H,1-2H3.
What are the key properties of N,N-dimethyl-1,3-benzodioxol-2-amine?
N,N-dimethyl-1,3-benzodioxol-2-amine has a molecular weight of 165.19 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1,3-benzodioxol-2-amine is sourced from PubChem (CID 4271632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).