N-(2,3-dimethoxypropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine

C13H21NO3 — CID 107093981

IUPACN-(2,3-dimethoxypropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESCOCC(CNC1CCCc2occc21)OC
InChIInChI=1S/C13H21NO3/c1-15-9-10(16-2)8-14-12-4-3-5-13-11(12)6-7-17-13/h6-7,10,12,14H,3-5,8-9H2,1-2H3
InChIKeyZSWCWZGSWYDBIM-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.91
Rot. Bonds6

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

N-(2,3-dimethoxypropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine (PubChem CID 107093981) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is N-(2,3-dimethoxypropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine.

Molecular Properties

Compound NameN-(2,3-dimethoxypropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
PubChem CID107093981
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC NameN-(2,3-dimethoxypropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESCOCC(CNC1CCCc2occc21)OC
InChIInChI=1S/C13H21NO3/c1-15-9-10(16-2)8-14-12-4-3-5-13-11(12)6-7-17-13/h6-7,10,12,14H,3-5,8-9H2,1-2H3
InChIKeyZSWCWZGSWYDBIM-UHFFFAOYSA-N
XLogP1.91
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-difluoroethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466646
N-(2-methoxy-2-methylpropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 104759614
N-(3-methylbutyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43208271
N-(2-butoxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 113315171
N-(2-methylpropoxy)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 82712185
N-(5-methylsulfanylpentyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 107094031
N-(2-phenoxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466439
2-amino-4-methoxy-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide
CID 62477129
N-(2,2,3,3-tetrafluoropropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 106290111
4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)butanamide
CID 115466341
(4R)-N-[2-(2-methylsulfonylethoxy)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 124625423
N-[(4-cyclopropylphenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 79969251

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethoxypropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The IUPAC name of N-(2,3-dimethoxypropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine (CID 107093981) is N-(2,3-dimethoxypropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine.
What is the SMILES notation for N-(2,3-dimethoxypropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The canonical SMILES for N-(2,3-dimethoxypropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine is COCC(CNC1CCCc2occc21)OC.
What is the InChIKey of N-(2,3-dimethoxypropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The InChIKey is ZSWCWZGSWYDBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-15-9-10(16-2)8-14-12-4-3-5-13-11(12)6-7-17-13/h6-7,10,12,14H,3-5,8-9H2,1-2H3.
What are the key properties of N-(2,3-dimethoxypropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
N-(2,3-dimethoxypropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine has a molecular weight of 239.31 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethoxypropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine is sourced from PubChem (CID 107093981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).