1-(3-bromofuran-2-yl)-N-[(1-methoxycyclobutyl)methyl]methanamine

C11H16BrNO2 — CID 103991674

IUPAC1-(3-bromofuran-2-yl)-N-[(1-methoxycyclobutyl)methyl]methanamine
SMILESCOC1(CNCc2occc2Br)CCC1
InChIInChI=1S/C11H16BrNO2/c1-14-11(4-2-5-11)8-13-7-10-9(12)3-6-15-10/h3,6,13H,2,4-5,7-8H2,1H3
InChIKeyPFGDHHFKUYCDPJ-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.70
Rot. Bonds5

About 1-(3-bromofuran-2-yl)-N-[(1-methoxycyclobutyl)methyl]methanamine

1-(3-bromofuran-2-yl)-N-[(1-methoxycyclobutyl)methyl]methanamine (PubChem CID 103991674) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-N-[(1-methoxycyclobutyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-N-[(1-methoxycyclobutyl)methyl]methanamine
PubChem CID103991674
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name1-(3-bromofuran-2-yl)-N-[(1-methoxycyclobutyl)methyl]methanamine
SMILESCOC1(CNCc2occc2Br)CCC1
InChIInChI=1S/C11H16BrNO2/c1-14-11(4-2-5-11)8-13-7-10-9(12)3-6-15-10/h3,6,13H,2,4-5,7-8H2,1H3
InChIKeyPFGDHHFKUYCDPJ-UHFFFAOYSA-N
XLogP2.70
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-N-[(1-methoxycyclobutyl)methyl]methanamine?
The IUPAC name of 1-(3-bromofuran-2-yl)-N-[(1-methoxycyclobutyl)methyl]methanamine (CID 103991674) is 1-(3-bromofuran-2-yl)-N-[(1-methoxycyclobutyl)methyl]methanamine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-N-[(1-methoxycyclobutyl)methyl]methanamine?
The canonical SMILES for 1-(3-bromofuran-2-yl)-N-[(1-methoxycyclobutyl)methyl]methanamine is COC1(CNCc2occc2Br)CCC1.
What is the InChIKey of 1-(3-bromofuran-2-yl)-N-[(1-methoxycyclobutyl)methyl]methanamine?
The InChIKey is PFGDHHFKUYCDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-14-11(4-2-5-11)8-13-7-10-9(12)3-6-15-10/h3,6,13H,2,4-5,7-8H2,1H3.
What are the key properties of 1-(3-bromofuran-2-yl)-N-[(1-methoxycyclobutyl)methyl]methanamine?
1-(3-bromofuran-2-yl)-N-[(1-methoxycyclobutyl)methyl]methanamine has a molecular weight of 274.16 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)-N-[(1-methoxycyclobutyl)methyl]methanamine is sourced from PubChem (CID 103991674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).