N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine

C17H19NO3 — CID 43583773

IUPACN-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESc1cc(CNC2CCCc3occc32)c2c(c1)OCCO2
InChIInChI=1S/C17H19NO3/c1-3-12(17-16(6-1)20-9-10-21-17)11-18-14-4-2-5-15-13(14)7-8-19-15/h1,3,6-8,14,18H,2,4-5,9-11H2
InChIKeyDZQVANFXNJEULF-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.22
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine

N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine (PubChem CID 43583773) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
PubChem CID43583773
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESc1cc(CNC2CCCc3occc32)c2c(c1)OCCO2
InChIInChI=1S/C17H19NO3/c1-3-12(17-16(6-1)20-9-10-21-17)11-18-14-4-2-5-15-13(14)7-8-19-15/h1,3,6-8,14,18H,2,4-5,9-11H2
InChIKeyDZQVANFXNJEULF-UHFFFAOYSA-N
XLogP3.22
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine with MolForge

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Related Compounds

N-(6,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)-4-methoxybenzamide
CID 2953368
1-(8-Fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 127756286
2-(1-benzofuran-4-ylmethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 91020203
4-(3,4-Dimethoxyphenyl)-2-methyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine
CID 178270812
N-[(4S)-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]-4-fluorobenzamide
CID 938680
N-[(4R)-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]-4-fluorobenzamide
CID 938681
N-[(4S)-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]-2-fluorobenzamide
CID 940737
N-[(4R)-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]-2-fluorobenzamide
CID 940738
2-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 3490743
4-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 3490746
N-(6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)-2-fluorobenzamide
CID 3704409
N-(6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)-4-fluorobenzamide
CID 4401399

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine (CID 43583773) is N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine is c1cc(CNC2CCCc3occc32)c2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The InChIKey is DZQVANFXNJEULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-3-12(17-16(6-1)20-9-10-21-17)11-18-14-4-2-5-15-13(14)7-8-19-15/h1,3,6-8,14,18H,2,4-5,9-11H2.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine has a molecular weight of 285.34 g/mol, XLogP of 3.22, 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-5-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine is sourced from PubChem (CID 43583773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).