2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylfuran-3-yl)methanamine

C14H15NO3 — CID 43384340

IUPAC2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylfuran-3-yl)methanamine
SMILESCc1occc1C(N)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H15NO3/c1-9-11(4-5-16-9)14(15)10-2-3-12-13(8-10)18-7-6-17-12/h2-5,8,14H,6-7,15H2,1H3
InChIKeyNHTWSIKMOHYKNM-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.41
Rot. Bonds2

About 2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylfuran-3-yl)methanamine

2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylfuran-3-yl)methanamine (PubChem CID 43384340) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylfuran-3-yl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylfuran-3-yl)methanamine
PubChem CID43384340
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylfuran-3-yl)methanamine
SMILESCc1occc1C(N)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H15NO3/c1-9-11(4-5-16-9)14(15)10-2-3-12-13(8-10)18-7-6-17-12/h2-5,8,14H,6-7,15H2,1H3
InChIKeyNHTWSIKMOHYKNM-UHFFFAOYSA-N
XLogP2.41
TPSA57.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydro-1,4-benzodioxin-6-yl-(2,5-dimethylfuran-3-yl)methanamine
CID 43463994
2,3-dihydro-1,4-benzodioxin-6-yl-(2-methoxyphenyl)methanamine
CID 43186674
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylfuran-3-yl)sulfanylethanamine
CID 107784165
(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(2-methylfuran-3-yl)methanamine
CID 43464699
(4-bromo-2-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 43629713
2,3-dihydro-1H-inden-5-yl-(2-methylfuran-3-yl)methanamine
CID 43464481
2,3-dihydro-1,4-benzodioxin-6-yl-(2-methyl-3-pyridinyl)methanamine
CID 105141089
2,3-dihydro-1,4-benzodioxin-6-yl-(2-methoxy-5-methylphenyl)methanamine
CID 43626057
(3-chloro-4-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 63194485
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2,5-dimethylphenyl)methanamine
CID 43197415
(3-bromo-4-fluorophenyl)-(2-methylfuran-3-yl)methanamine
CID 79747168
2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylpyrimidin-4-yl)methanamine
CID 115530049

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylfuran-3-yl)methanamine?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylfuran-3-yl)methanamine (CID 43384340) is 2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylfuran-3-yl)methanamine.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylfuran-3-yl)methanamine?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylfuran-3-yl)methanamine is Cc1occc1C(N)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylfuran-3-yl)methanamine?
The InChIKey is NHTWSIKMOHYKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-9-11(4-5-16-9)14(15)10-2-3-12-13(8-10)18-7-6-17-12/h2-5,8,14H,6-7,15H2,1H3.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylfuran-3-yl)methanamine?
2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylfuran-3-yl)methanamine has a molecular weight of 245.28 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylfuran-3-yl)methanamine is sourced from PubChem (CID 43384340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).