1-(1,3-dihydro-2-benzofuran-5-yl)-2-(furan-3-yl)-N-methylethanamine

C15H17NO2 — CID 105029864

IUPAC1-(1,3-dihydro-2-benzofuran-5-yl)-2-(furan-3-yl)-N-methylethanamine
SMILESCNC(Cc1ccoc1)c1ccc2c(c1)COC2
InChIInChI=1S/C15H17NO2/c1-16-15(6-11-4-5-17-8-11)12-2-3-13-9-18-10-14(13)7-12/h2-5,7-8,15-16H,6,9-10H2,1H3
InChIKeyCJJYDXRZVFCFCD-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.81
Rot. Bonds4

About 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(furan-3-yl)-N-methylethanamine

1-(1,3-dihydro-2-benzofuran-5-yl)-2-(furan-3-yl)-N-methylethanamine (PubChem CID 105029864) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(furan-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(1,3-dihydro-2-benzofuran-5-yl)-2-(furan-3-yl)-N-methylethanamine
PubChem CID105029864
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name1-(1,3-dihydro-2-benzofuran-5-yl)-2-(furan-3-yl)-N-methylethanamine
SMILESCNC(Cc1ccoc1)c1ccc2c(c1)COC2
InChIInChI=1S/C15H17NO2/c1-16-15(6-11-4-5-17-8-11)12-2-3-13-9-18-10-14(13)7-12/h2-5,7-8,15-16H,6,9-10H2,1H3
InChIKeyCJJYDXRZVFCFCD-UHFFFAOYSA-N
XLogP2.81
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine
CID 63019172
1-(4-bromo-3-methylphenyl)-2-(furan-3-yl)-N-methylethanamine
CID 105030035
1-(1,3-dihydro-2-benzofuran-5-yl)-N,3-dimethylbutan-1-amine
CID 63020410
1-(4-fluorophenyl)-2-(furan-3-yl)-N-methylethanamine
CID 83176188
2-(2-bromophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine
CID 115787083
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine
CID 105019704
1-(3,4-diethoxyphenyl)-2-(furan-3-yl)-N-methylethanamine
CID 105030051
1-(1,3-dihydro-2-benzofuran-5-yl)-N,2-dimethylpropan-1-amine
CID 63018997
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 63021279
2-(2-bromo-5-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine
CID 115843631
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine
CID 105001978
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine
CID 105034936

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(furan-3-yl)-N-methylethanamine?
The IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(furan-3-yl)-N-methylethanamine (CID 105029864) is 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(furan-3-yl)-N-methylethanamine.
What is the SMILES notation for 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(furan-3-yl)-N-methylethanamine?
The canonical SMILES for 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(furan-3-yl)-N-methylethanamine is CNC(Cc1ccoc1)c1ccc2c(c1)COC2.
What is the InChIKey of 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(furan-3-yl)-N-methylethanamine?
The InChIKey is CJJYDXRZVFCFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-16-15(6-11-4-5-17-8-11)12-2-3-13-9-18-10-14(13)7-12/h2-5,7-8,15-16H,6,9-10H2,1H3.
What are the key properties of 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(furan-3-yl)-N-methylethanamine?
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(furan-3-yl)-N-methylethanamine has a molecular weight of 243.31 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(furan-3-yl)-N-methylethanamine is sourced from PubChem (CID 105029864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).