1-(3-bromofuran-2-yl)-N-methoxymethanamine

C6H8BrNO2 — CID 106885458

IUPAC1-(3-bromofuran-2-yl)-N-methoxymethanamine
SMILESCONCc1occc1Br
InChIInChI=1S/C6H8BrNO2/c1-9-8-4-6-5(7)2-3-10-6/h2-3,8H,4H2,1H3
InChIKeyDMFSDDPCQJILSB-UHFFFAOYSA-N
MW206.04 g/mol
LogP1.69
Rot. Bonds3

About 1-(3-bromofuran-2-yl)-N-methoxymethanamine

1-(3-bromofuran-2-yl)-N-methoxymethanamine (PubChem CID 106885458) has the molecular formula C6H8BrNO2 and a molecular weight of 206.04 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-N-methoxymethanamine
PubChem CID106885458
Molecular FormulaC6H8BrNO2
Molecular Weight206.04 g/mol
Exact Mass204.97
IUPAC Name1-(3-bromofuran-2-yl)-N-methoxymethanamine
SMILESCONCc1occc1Br
InChIInChI=1S/C6H8BrNO2/c1-9-8-4-6-5(7)2-3-10-6/h2-3,8H,4H2,1H3
InChIKeyDMFSDDPCQJILSB-UHFFFAOYSA-N
XLogP1.69
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.04
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Furfurylamine
CID 3438
5-Methyl-2-furylmethylamine
CID 2724683
(3-Methylfuran-2-yl)methanamine
CID 18187367
(5-Bromofuran-2-yl)methanamine
CID 16765323
4-Bromofuran-2-carboxamide
CID 57589975
(4-Bromofuran-2-yl)methanamine
CID 59148428
1-(4,5-Dibromofuran-2-yl)methanamine
CID 62083922
(5-Bromofuran-2-yl)methanamine hydrochloride
CID 72207005
Methoxy[(5-methylfuran-2-yl)methyl]amine
CID 82706225
[(3-Bromofuran-2-yl)methyl](methyl)amine hydrochloride
CID 167726692
N-(Trimethylsilyl)-2-furanmethanamine
CID 5237728
Furan-2-ylmethylazanium
CID 5156022

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-N-methoxymethanamine?
The IUPAC name of 1-(3-bromofuran-2-yl)-N-methoxymethanamine (CID 106885458) is 1-(3-bromofuran-2-yl)-N-methoxymethanamine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-N-methoxymethanamine?
The canonical SMILES for 1-(3-bromofuran-2-yl)-N-methoxymethanamine is CONCc1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-N-methoxymethanamine?
The InChIKey is DMFSDDPCQJILSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrNO2/c1-9-8-4-6-5(7)2-3-10-6/h2-3,8H,4H2,1H3.
What are the key properties of 1-(3-bromofuran-2-yl)-N-methoxymethanamine?
1-(3-bromofuran-2-yl)-N-methoxymethanamine has a molecular weight of 206.04 g/mol, XLogP of 1.69, 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-methoxymethanamine is sourced from PubChem (CID 106885458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).