1-(3-bromofuran-2-yl)-N-methyl-1-pyridin-2-ylmethanamine

C11H11BrN2O — CID 63941858

IUPAC1-(3-bromofuran-2-yl)-N-methyl-1-pyridin-2-ylmethanamine
SMILESCNC(c1ccccn1)c1occc1Br
InChIInChI=1S/C11H11BrN2O/c1-13-10(9-4-2-3-6-14-9)11-8(12)5-7-15-11/h2-7,10,13H,1H3
InChIKeyZKIKEFKRCLLWAJ-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.75
Rot. Bonds3

About 1-(3-bromofuran-2-yl)-N-methyl-1-pyridin-2-ylmethanamine

1-(3-bromofuran-2-yl)-N-methyl-1-pyridin-2-ylmethanamine (PubChem CID 63941858) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-N-methyl-1-pyridin-2-ylmethanamine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-N-methyl-1-pyridin-2-ylmethanamine
PubChem CID63941858
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name1-(3-bromofuran-2-yl)-N-methyl-1-pyridin-2-ylmethanamine
SMILESCNC(c1ccccn1)c1occc1Br
InChIInChI=1S/C11H11BrN2O/c1-13-10(9-4-2-3-6-14-9)11-8(12)5-7-15-11/h2-7,10,13H,1H3
InChIKeyZKIKEFKRCLLWAJ-UHFFFAOYSA-N
XLogP2.75
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.75
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-methyl-1-pyridin-2-ylmethanamine?
The IUPAC name of 1-(3-bromofuran-2-yl)-N-methyl-1-pyridin-2-ylmethanamine (CID 63941858) is 1-(3-bromofuran-2-yl)-N-methyl-1-pyridin-2-ylmethanamine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-N-methyl-1-pyridin-2-ylmethanamine?
The canonical SMILES for 1-(3-bromofuran-2-yl)-N-methyl-1-pyridin-2-ylmethanamine is CNC(c1ccccn1)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-N-methyl-1-pyridin-2-ylmethanamine?
The InChIKey is ZKIKEFKRCLLWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-13-10(9-4-2-3-6-14-9)11-8(12)5-7-15-11/h2-7,10,13H,1H3.
What are the key properties of 1-(3-bromofuran-2-yl)-N-methyl-1-pyridin-2-ylmethanamine?
1-(3-bromofuran-2-yl)-N-methyl-1-pyridin-2-ylmethanamine has a molecular weight of 267.13 g/mol, XLogP of 2.75, 3 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-methyl-1-pyridin-2-ylmethanamine is sourced from PubChem (CID 63941858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).