1-(3-bromofuran-2-yl)-N-methylmethanamine;hydrochloride

C6H9BrClNO — CID 167726692

IUPAC1-(3-bromofuran-2-yl)-N-methylmethanamine;hydrochloride
SMILESCNCc1occc1Br.Cl
InChIInChI=1S/C6H8BrNO.ClH/c1-8-4-6-5(7)2-3-9-6;/h2-3,8H,4H2,1H3;1H
InChIKeyUQAOFGCYAZNWHM-UHFFFAOYSA-N
MW226.50 g/mol
LogP2.18
Rot. Bonds2

About 1-(3-bromofuran-2-yl)-N-methylmethanamine;hydrochloride

1-(3-bromofuran-2-yl)-N-methylmethanamine;hydrochloride (PubChem CID 167726692) has the molecular formula C6H9BrClNO and a molecular weight of 226.50 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-N-methylmethanamine;hydrochloride
PubChem CID167726692
Molecular FormulaC6H9BrClNO
Molecular Weight226.50 g/mol
Exact Mass224.96
IUPAC Name1-(3-bromofuran-2-yl)-N-methylmethanamine;hydrochloride
SMILESCNCc1occc1Br.Cl
InChIInChI=1S/C6H8BrNO.ClH/c1-8-4-6-5(7)2-3-9-6;/h2-3,8H,4H2,1H3;1H
InChIKeyUQAOFGCYAZNWHM-UHFFFAOYSA-N
XLogP2.18
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.50
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-(3-bromofuran-2-yl)-N-methylmethanamine;hydrochloride (CID 167726692) is 1-(3-bromofuran-2-yl)-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-(3-bromofuran-2-yl)-N-methylmethanamine;hydrochloride is CNCc1occc1Br.Cl.
What is the InChIKey of 1-(3-bromofuran-2-yl)-N-methylmethanamine;hydrochloride?
The InChIKey is UQAOFGCYAZNWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrNO.ClH/c1-8-4-6-5(7)2-3-9-6;/h2-3,8H,4H2,1H3;1H.
What are the key properties of 1-(3-bromofuran-2-yl)-N-methylmethanamine;hydrochloride?
1-(3-bromofuran-2-yl)-N-methylmethanamine;hydrochloride has a molecular weight of 226.50 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 167726692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).