N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,3-dihydro-1-benzofuran-3-amine

C17H17NO3 — CID 63378858

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,3-dihydro-1-benzofuran-3-amine
SMILESc1ccc2c(c1)OCC2NCc1ccc2c(c1)OCCO2
InChIInChI=1S/C17H17NO3/c1-2-4-15-13(3-1)14(11-21-15)18-10-12-5-6-16-17(9-12)20-8-7-19-16/h1-6,9,14,18H,7-8,10-11H2
InChIKeySQHZWEIIJKMMQD-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.68
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,3-dihydro-1-benzofuran-3-amine

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 63378858) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,3-dihydro-1-benzofuran-3-amine
PubChem CID63378858
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,3-dihydro-1-benzofuran-3-amine
SMILESc1ccc2c(c1)OCC2NCc1ccc2c(c1)OCCO2
InChIInChI=1S/C17H17NO3/c1-2-4-15-13(3-1)14(11-21-15)18-10-12-5-6-16-17(9-12)20-8-7-19-16/h1-6,9,14,18H,7-8,10-11H2
InChIKeySQHZWEIIJKMMQD-UHFFFAOYSA-N
XLogP2.68
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine
CID 63378996
N-[[4-(dimethylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-3-amine
CID 63378811
3-[(2,3-dihydro-1-benzofuran-3-ylamino)methyl]benzonitrile
CID 63378992
N-[(4-nitrophenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine
CID 63378673
N-[4-[(2,3-dihydro-1-benzofuran-3-ylamino)methyl]phenyl]acetamide
CID 63378630
N-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 43202744
N-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine
CID 79883117
N-(1,3-benzodioxol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 2853101
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)thiohydroxylamine
CID 163890520
3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,3-dihydro-1,4-benzodioxine
CID 175441082
1-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dihydro-2H-chromen-4-yl)urea
CID 53498052
(1'R,3R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
CID 129285469

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,3-dihydro-1-benzofuran-3-amine (CID 63378858) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,3-dihydro-1-benzofuran-3-amine is c1ccc2c(c1)OCC2NCc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is SQHZWEIIJKMMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-2-4-15-13(3-1)14(11-21-15)18-10-12-5-6-16-17(9-12)20-8-7-19-16/h1-6,9,14,18H,7-8,10-11H2.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,3-dihydro-1-benzofuran-3-amine?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 283.33 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 63378858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).