1-[3-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-yl]-N-methylmethanamine

C16H19NO2 — CID 62459453

IUPAC1-[3-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-yl]-N-methylmethanamine
SMILESCNCc1occc1COc1ccc2c(c1)CCC2
InChIInChI=1S/C16H19NO2/c1-17-10-16-14(7-8-18-16)11-19-15-6-5-12-3-2-4-13(12)9-15/h5-9,17H,2-4,10-11H2,1H3
InChIKeyJWWKVFOOIVFKPS-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.07
Rot. Bonds5

About 1-[3-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-yl]-N-methylmethanamine

1-[3-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-yl]-N-methylmethanamine (PubChem CID 62459453) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-[3-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-yl]-N-methylmethanamine
PubChem CID62459453
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name1-[3-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-yl]-N-methylmethanamine
SMILESCNCc1occc1COc1ccc2c(c1)CCC2
InChIInChI=1S/C16H19NO2/c1-17-10-16-14(7-8-18-16)11-19-15-6-5-12-3-2-4-13(12)9-15/h5-9,17H,2-4,10-11H2,1H3
InChIKeyJWWKVFOOIVFKPS-UHFFFAOYSA-N
XLogP3.07
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-yl]-N-methylmethanamine (CID 62459453) is 1-[3-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-yl]-N-methylmethanamine is CNCc1occc1COc1ccc2c(c1)CCC2.
What is the InChIKey of 1-[3-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-yl]-N-methylmethanamine?
The InChIKey is JWWKVFOOIVFKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-17-10-16-14(7-8-18-16)11-19-15-6-5-12-3-2-4-13(12)9-15/h5-9,17H,2-4,10-11H2,1H3.
What are the key properties of 1-[3-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-yl]-N-methylmethanamine?
1-[3-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-yl]-N-methylmethanamine has a molecular weight of 257.33 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-yl]-N-methylmethanamine is sourced from PubChem (CID 62459453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).