[3-(aminomethyl)-2,4-dihydrochromen-3-yl]-(4,5-dibromofuran-2-yl)methanol

C15H15Br2NO3 — CID 79126355

IUPAC[3-(aminomethyl)-2,4-dihydrochromen-3-yl]-(4,5-dibromofuran-2-yl)methanol
SMILESNCC1(C(O)c2cc(Br)c(Br)o2)COc2ccccc2C1
InChIInChI=1S/C15H15Br2NO3/c16-10-5-12(21-14(10)17)13(19)15(7-18)6-9-3-1-2-4-11(9)20-8-15/h1-5,13,19H,6-8,18H2
InChIKeyRQUAVQXQTCDGDG-UHFFFAOYSA-N
MW417.10 g/mol
LogP3.42
Rot. Bonds3

About [3-(aminomethyl)-2,4-dihydrochromen-3-yl]-(4,5-dibromofuran-2-yl)methanol

[3-(aminomethyl)-2,4-dihydrochromen-3-yl]-(4,5-dibromofuran-2-yl)methanol (PubChem CID 79126355) has the molecular formula C15H15Br2NO3 and a molecular weight of 417.10 g/mol. Its IUPAC name is [3-(aminomethyl)-2,4-dihydrochromen-3-yl]-(4,5-dibromofuran-2-yl)methanol.

Molecular Properties

Compound Name[3-(aminomethyl)-2,4-dihydrochromen-3-yl]-(4,5-dibromofuran-2-yl)methanol
PubChem CID79126355
Molecular FormulaC15H15Br2NO3
Molecular Weight417.10 g/mol
Exact Mass414.94
IUPAC Name[3-(aminomethyl)-2,4-dihydrochromen-3-yl]-(4,5-dibromofuran-2-yl)methanol
SMILESNCC1(C(O)c2cc(Br)c(Br)o2)COc2ccccc2C1
InChIInChI=1S/C15H15Br2NO3/c16-10-5-12(21-14(10)17)13(19)15(7-18)6-9-3-1-2-4-11(9)20-8-15/h1-5,13,19H,6-8,18H2
InChIKeyRQUAVQXQTCDGDG-UHFFFAOYSA-N
XLogP3.42
TPSA68.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.10
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-2,4-dihydrochromen-3-yl]-(4,5-dibromofuran-2-yl)methanol?
The IUPAC name of [3-(aminomethyl)-2,4-dihydrochromen-3-yl]-(4,5-dibromofuran-2-yl)methanol (CID 79126355) is [3-(aminomethyl)-2,4-dihydrochromen-3-yl]-(4,5-dibromofuran-2-yl)methanol.
What is the SMILES notation for [3-(aminomethyl)-2,4-dihydrochromen-3-yl]-(4,5-dibromofuran-2-yl)methanol?
The canonical SMILES for [3-(aminomethyl)-2,4-dihydrochromen-3-yl]-(4,5-dibromofuran-2-yl)methanol is NCC1(C(O)c2cc(Br)c(Br)o2)COc2ccccc2C1.
What is the InChIKey of [3-(aminomethyl)-2,4-dihydrochromen-3-yl]-(4,5-dibromofuran-2-yl)methanol?
The InChIKey is RQUAVQXQTCDGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NO3/c16-10-5-12(21-14(10)17)13(19)15(7-18)6-9-3-1-2-4-11(9)20-8-15/h1-5,13,19H,6-8,18H2.
What are the key properties of [3-(aminomethyl)-2,4-dihydrochromen-3-yl]-(4,5-dibromofuran-2-yl)methanol?
[3-(aminomethyl)-2,4-dihydrochromen-3-yl]-(4,5-dibromofuran-2-yl)methanol has a molecular weight of 417.10 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-2,4-dihydrochromen-3-yl]-(4,5-dibromofuran-2-yl)methanol is sourced from PubChem (CID 79126355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).