[3-[(4-bromophenoxy)methyl]furan-2-yl]methanamine

C12H12BrNO2 — CID 62454073

IUPAC[3-[(4-bromophenoxy)methyl]furan-2-yl]methanamine
SMILESNCc1occc1COc1ccc(Br)cc1
InChIInChI=1S/C12H12BrNO2/c13-10-1-3-11(4-2-10)16-8-9-5-6-15-12(9)7-14/h1-6H,7-8,14H2
InChIKeyJWEUKOYREXQJSP-UHFFFAOYSA-N
MW282.14 g/mol
LogP3.08
Rot. Bonds4

About [3-[(4-bromophenoxy)methyl]furan-2-yl]methanamine

[3-[(4-bromophenoxy)methyl]furan-2-yl]methanamine (PubChem CID 62454073) has the molecular formula C12H12BrNO2 and a molecular weight of 282.14 g/mol. Its IUPAC name is [3-[(4-bromophenoxy)methyl]furan-2-yl]methanamine.

Molecular Properties

Compound Name[3-[(4-bromophenoxy)methyl]furan-2-yl]methanamine
PubChem CID62454073
Molecular FormulaC12H12BrNO2
Molecular Weight282.14 g/mol
Exact Mass281.01
IUPAC Name[3-[(4-bromophenoxy)methyl]furan-2-yl]methanamine
SMILESNCc1occc1COc1ccc(Br)cc1
InChIInChI=1S/C12H12BrNO2/c13-10-1-3-11(4-2-10)16-8-9-5-6-15-12(9)7-14/h1-6H,7-8,14H2
InChIKeyJWEUKOYREXQJSP-UHFFFAOYSA-N
XLogP3.08
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-bromophenoxy)methyl]furan-2-yl]methanamine?
The IUPAC name of [3-[(4-bromophenoxy)methyl]furan-2-yl]methanamine (CID 62454073) is [3-[(4-bromophenoxy)methyl]furan-2-yl]methanamine.
What is the SMILES notation for [3-[(4-bromophenoxy)methyl]furan-2-yl]methanamine?
The canonical SMILES for [3-[(4-bromophenoxy)methyl]furan-2-yl]methanamine is NCc1occc1COc1ccc(Br)cc1.
What is the InChIKey of [3-[(4-bromophenoxy)methyl]furan-2-yl]methanamine?
The InChIKey is JWEUKOYREXQJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2/c13-10-1-3-11(4-2-10)16-8-9-5-6-15-12(9)7-14/h1-6H,7-8,14H2.
What are the key properties of [3-[(4-bromophenoxy)methyl]furan-2-yl]methanamine?
[3-[(4-bromophenoxy)methyl]furan-2-yl]methanamine has a molecular weight of 282.14 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-bromophenoxy)methyl]furan-2-yl]methanamine is sourced from PubChem (CID 62454073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).