[3-(furan-3-ylmethyl)-2,4-dihydrochromen-3-yl]methanamine

C15H17NO2 — CID 83183019

IUPAC[3-(furan-3-ylmethyl)-2,4-dihydrochromen-3-yl]methanamine
SMILESNCC1(Cc2ccoc2)COc2ccccc2C1
InChIInChI=1S/C15H17NO2/c16-10-15(7-12-5-6-17-9-12)8-13-3-1-2-4-14(13)18-11-15/h1-6,9H,7-8,10-11,16H2
InChIKeyYMZREMKZFOSTDI-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.40
Rot. Bonds3

About [3-(furan-3-ylmethyl)-2,4-dihydrochromen-3-yl]methanamine

[3-(furan-3-ylmethyl)-2,4-dihydrochromen-3-yl]methanamine (PubChem CID 83183019) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is [3-(furan-3-ylmethyl)-2,4-dihydrochromen-3-yl]methanamine.

Molecular Properties

Compound Name[3-(furan-3-ylmethyl)-2,4-dihydrochromen-3-yl]methanamine
PubChem CID83183019
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name[3-(furan-3-ylmethyl)-2,4-dihydrochromen-3-yl]methanamine
SMILESNCC1(Cc2ccoc2)COc2ccccc2C1
InChIInChI=1S/C15H17NO2/c16-10-15(7-12-5-6-17-9-12)8-13-3-1-2-4-14(13)18-11-15/h1-6,9H,7-8,10-11,16H2
InChIKeyYMZREMKZFOSTDI-UHFFFAOYSA-N
XLogP2.40
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(furan-3-ylmethyl)-2,4-dihydrochromen-3-yl]methanamine?
The IUPAC name of [3-(furan-3-ylmethyl)-2,4-dihydrochromen-3-yl]methanamine (CID 83183019) is [3-(furan-3-ylmethyl)-2,4-dihydrochromen-3-yl]methanamine.
What is the SMILES notation for [3-(furan-3-ylmethyl)-2,4-dihydrochromen-3-yl]methanamine?
The canonical SMILES for [3-(furan-3-ylmethyl)-2,4-dihydrochromen-3-yl]methanamine is NCC1(Cc2ccoc2)COc2ccccc2C1.
What is the InChIKey of [3-(furan-3-ylmethyl)-2,4-dihydrochromen-3-yl]methanamine?
The InChIKey is YMZREMKZFOSTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c16-10-15(7-12-5-6-17-9-12)8-13-3-1-2-4-14(13)18-11-15/h1-6,9H,7-8,10-11,16H2.
What are the key properties of [3-(furan-3-ylmethyl)-2,4-dihydrochromen-3-yl]methanamine?
[3-(furan-3-ylmethyl)-2,4-dihydrochromen-3-yl]methanamine has a molecular weight of 243.31 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(furan-3-ylmethyl)-2,4-dihydrochromen-3-yl]methanamine is sourced from PubChem (CID 83183019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).