2,3-dihydro-1,4-benzodioxin-6-yl(2,3-dihydro-1-benzofuran-5-yl)methanamine

C17H17NO3 — CID 43119103

IUPAC2,3-dihydro-1,4-benzodioxin-6-yl(2,3-dihydro-1-benzofuran-5-yl)methanamine
SMILESNC(c1ccc2c(c1)CCO2)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H17NO3/c18-17(12-1-3-14-11(9-12)5-6-19-14)13-2-4-15-16(10-13)21-8-7-20-15/h1-4,9-10,17H,5-8,18H2
InChIKeyGFVKZRIFQFHKJB-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.44
Rot. Bonds2

About 2,3-dihydro-1,4-benzodioxin-6-yl(2,3-dihydro-1-benzofuran-5-yl)methanamine

2,3-dihydro-1,4-benzodioxin-6-yl(2,3-dihydro-1-benzofuran-5-yl)methanamine (PubChem CID 43119103) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-6-yl(2,3-dihydro-1-benzofuran-5-yl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-6-yl(2,3-dihydro-1-benzofuran-5-yl)methanamine
PubChem CID43119103
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name2,3-dihydro-1,4-benzodioxin-6-yl(2,3-dihydro-1-benzofuran-5-yl)methanamine
SMILESNC(c1ccc2c(c1)CCO2)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H17NO3/c18-17(12-1-3-14-11(9-12)5-6-19-14)13-2-4-15-16(10-13)21-8-7-20-15/h1-4,9-10,17H,5-8,18H2
InChIKeyGFVKZRIFQFHKJB-UHFFFAOYSA-N
XLogP2.44
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydro-1-benzofuran-5-yl-(4-propan-2-ylphenyl)methanamine
CID 43198470
2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanamine
CID 43198444
[4-(aminomethyl)phenyl]-(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 116937080
(R)-2,3-dihydro-1-benzofuran-5-yl(thiophen-3-yl)methanamine
CID 171222054
2,3-dihydro-1-benzofuran-5-yl(quinoxalin-6-yl)methanamine
CID 115604905
2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylsulfanylphenyl)methanamine
CID 79215374
(S)-2,3-dihydro-1-benzofuran-5-yl(thiophen-2-yl)methanamine
CID 171202497
2,3-dihydro-1-benzofuran-5-yl-(5-methylfuran-2-yl)methanamine
CID 43464379
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-amine
CID 43198411
2,3-dihydro-1-benzofuran-5-yl(2,3-dihydro-1-benzofuran-7-yl)methanamine
CID 105053322
(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 105006924
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-amine;hydrochloride
CID 86263152

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl(2,3-dihydro-1-benzofuran-5-yl)methanamine?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl(2,3-dihydro-1-benzofuran-5-yl)methanamine (CID 43119103) is 2,3-dihydro-1,4-benzodioxin-6-yl(2,3-dihydro-1-benzofuran-5-yl)methanamine.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-6-yl(2,3-dihydro-1-benzofuran-5-yl)methanamine?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-6-yl(2,3-dihydro-1-benzofuran-5-yl)methanamine is NC(c1ccc2c(c1)CCO2)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-6-yl(2,3-dihydro-1-benzofuran-5-yl)methanamine?
The InChIKey is GFVKZRIFQFHKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c18-17(12-1-3-14-11(9-12)5-6-19-14)13-2-4-15-16(10-13)21-8-7-20-15/h1-4,9-10,17H,5-8,18H2.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-6-yl(2,3-dihydro-1-benzofuran-5-yl)methanamine?
2,3-dihydro-1,4-benzodioxin-6-yl(2,3-dihydro-1-benzofuran-5-yl)methanamine has a molecular weight of 283.33 g/mol, XLogP of 2.44, 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(2,3-dihydro-1-benzofuran-5-yl)methanamine is sourced from PubChem (CID 43119103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).