N-methyl-2,3,7,8-tetrahydro-1,4-benzodioxin-6-amine

C9H13NO2 — CID 142987823

IUPACN-methyl-2,3,7,8-tetrahydro-1,4-benzodioxin-6-amine
SMILESCNC1=CC2=C(CC1)OCCO2
InChIInChI=1S/C9H13NO2/c1-10-7-2-3-8-9(6-7)12-5-4-11-8/h6,10H,2-5H2,1H3
InChIKeyVAAMYNNRHBRGPM-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.14
Rot. Bonds1

About N-methyl-2,3,7,8-tetrahydro-1,4-benzodioxin-6-amine

N-methyl-2,3,7,8-tetrahydro-1,4-benzodioxin-6-amine (PubChem CID 142987823) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is N-methyl-2,3,7,8-tetrahydro-1,4-benzodioxin-6-amine.

Molecular Properties

Compound NameN-methyl-2,3,7,8-tetrahydro-1,4-benzodioxin-6-amine
PubChem CID142987823
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC NameN-methyl-2,3,7,8-tetrahydro-1,4-benzodioxin-6-amine
SMILESCNC1=CC2=C(CC1)OCCO2
InChIInChI=1S/C9H13NO2/c1-10-7-2-3-8-9(6-7)12-5-4-11-8/h6,10H,2-5H2,1H3
InChIKeyVAAMYNNRHBRGPM-UHFFFAOYSA-N
XLogP1.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;N-methyl-2,3,6,7-tetrahydro-1-benzofuran-5-amine;molecular hydrogen
CID 144920740
7-(methylamino)-5,6-dihydro-4H-1,4-benzoxazin-3-one
CID 143902117
4-N-methylcyclohexa-1,3-diene-1,4-diamine
CID 143935131
4-chloro-N-methylcyclohexa-1,3-dien-1-amine
CID 89073762
N-methyl-3,6-dihydro-2H-pyran-4-amine
CID 70244327
4-ethyl-N-methyl-3-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine
CID 134549872
3,7-dihydro-2H-cyclopenta[b][1,4]dioxine;ethane
CID 145272383
ethane;N-methyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-amine
CID 176977794
N-methyl-6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-amine
CID 130607978
2,3-dihydrocyclohepta[b][1,4]dioxin-6-amine
CID 176544443
3,4,7,8-tetrahydro-2H-chromen-6-amine
CID 160651778
7-chloro-3-(methylamino)-2H-1-benzoxepin-5-one
CID 13446069

Frequently Asked Questions

What is the IUPAC name of N-methyl-2,3,7,8-tetrahydro-1,4-benzodioxin-6-amine?
The IUPAC name of N-methyl-2,3,7,8-tetrahydro-1,4-benzodioxin-6-amine (CID 142987823) is N-methyl-2,3,7,8-tetrahydro-1,4-benzodioxin-6-amine.
What is the SMILES notation for N-methyl-2,3,7,8-tetrahydro-1,4-benzodioxin-6-amine?
The canonical SMILES for N-methyl-2,3,7,8-tetrahydro-1,4-benzodioxin-6-amine is CNC1=CC2=C(CC1)OCCO2.
What is the InChIKey of N-methyl-2,3,7,8-tetrahydro-1,4-benzodioxin-6-amine?
The InChIKey is VAAMYNNRHBRGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-10-7-2-3-8-9(6-7)12-5-4-11-8/h6,10H,2-5H2,1H3.
What are the key properties of N-methyl-2,3,7,8-tetrahydro-1,4-benzodioxin-6-amine?
N-methyl-2,3,7,8-tetrahydro-1,4-benzodioxin-6-amine has a molecular weight of 167.21 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2,3,7,8-tetrahydro-1,4-benzodioxin-6-amine is sourced from PubChem (CID 142987823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).