[2-(furan-3-ylmethyl)-1,3-dihydroinden-2-yl]methanamine

C15H17NO — CID 83183020

IUPAC[2-(furan-3-ylmethyl)-1,3-dihydroinden-2-yl]methanamine
SMILESNCC1(Cc2ccoc2)Cc2ccccc2C1
InChIInChI=1S/C15H17NO/c16-11-15(7-12-5-6-17-10-12)8-13-3-1-2-4-14(13)9-15/h1-6,10H,7-9,11,16H2
InChIKeyODEBCJBIJKJRQA-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.57
Rot. Bonds3

About [2-(furan-3-ylmethyl)-1,3-dihydroinden-2-yl]methanamine

[2-(furan-3-ylmethyl)-1,3-dihydroinden-2-yl]methanamine (PubChem CID 83183020) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is [2-(furan-3-ylmethyl)-1,3-dihydroinden-2-yl]methanamine.

Molecular Properties

Compound Name[2-(furan-3-ylmethyl)-1,3-dihydroinden-2-yl]methanamine
PubChem CID83183020
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name[2-(furan-3-ylmethyl)-1,3-dihydroinden-2-yl]methanamine
SMILESNCC1(Cc2ccoc2)Cc2ccccc2C1
InChIInChI=1S/C15H17NO/c16-11-15(7-12-5-6-17-10-12)8-13-3-1-2-4-14(13)9-15/h1-6,10H,7-9,11,16H2
InChIKeyODEBCJBIJKJRQA-UHFFFAOYSA-N
XLogP2.57
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(furan-3-ylmethyl)-1,3-dihydroinden-2-yl]methanamine?
The IUPAC name of [2-(furan-3-ylmethyl)-1,3-dihydroinden-2-yl]methanamine (CID 83183020) is [2-(furan-3-ylmethyl)-1,3-dihydroinden-2-yl]methanamine.
What is the SMILES notation for [2-(furan-3-ylmethyl)-1,3-dihydroinden-2-yl]methanamine?
The canonical SMILES for [2-(furan-3-ylmethyl)-1,3-dihydroinden-2-yl]methanamine is NCC1(Cc2ccoc2)Cc2ccccc2C1.
What is the InChIKey of [2-(furan-3-ylmethyl)-1,3-dihydroinden-2-yl]methanamine?
The InChIKey is ODEBCJBIJKJRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c16-11-15(7-12-5-6-17-10-12)8-13-3-1-2-4-14(13)9-15/h1-6,10H,7-9,11,16H2.
What are the key properties of [2-(furan-3-ylmethyl)-1,3-dihydroinden-2-yl]methanamine?
[2-(furan-3-ylmethyl)-1,3-dihydroinden-2-yl]methanamine has a molecular weight of 227.31 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-3-ylmethyl)-1,3-dihydroinden-2-yl]methanamine is sourced from PubChem (CID 83183020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).