1-(3-bromofuran-2-yl)-2,2-dimethoxy-N-methylethanamine

C9H14BrNO3 — CID 79492649

IUPAC1-(3-bromofuran-2-yl)-2,2-dimethoxy-N-methylethanamine
SMILESCNC(c1occc1Br)C(OC)OC
InChIInChI=1S/C9H14BrNO3/c1-11-7(9(12-2)13-3)8-6(10)4-5-14-8/h4-5,7,9,11H,1-3H3
InChIKeyCGNREALYANIAAU-UHFFFAOYSA-N
MW264.12 g/mol
LogP1.92
Rot. Bonds5

About 1-(3-bromofuran-2-yl)-2,2-dimethoxy-N-methylethanamine

1-(3-bromofuran-2-yl)-2,2-dimethoxy-N-methylethanamine (PubChem CID 79492649) has the molecular formula C9H14BrNO3 and a molecular weight of 264.12 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-2,2-dimethoxy-N-methylethanamine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-2,2-dimethoxy-N-methylethanamine
PubChem CID79492649
Molecular FormulaC9H14BrNO3
Molecular Weight264.12 g/mol
Exact Mass263.02
IUPAC Name1-(3-bromofuran-2-yl)-2,2-dimethoxy-N-methylethanamine
SMILESCNC(c1occc1Br)C(OC)OC
InChIInChI=1S/C9H14BrNO3/c1-11-7(9(12-2)13-3)8-6(10)4-5-14-8/h4-5,7,9,11H,1-3H3
InChIKeyCGNREALYANIAAU-UHFFFAOYSA-N
XLogP1.92
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.12
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-(3-bromofuran-2-yl)-2,2-dimethoxy-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromofuran-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine
CID 116719920
1-(3-bromofuran-2-yl)-N,2-dimethylpentan-1-amine
CID 115861224
1-(3-bromofuran-2-yl)-N,4-dimethylpentan-1-amine
CID 63943232
[1-(3-bromofuran-2-yl)-2-methoxypentyl]hydrazine
CID 105271903
1-(3-bromofuran-2-yl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 63943412
1-(3-bromofuran-2-yl)-N-methyl-1-pyridin-2-ylmethanamine
CID 63941858
[1-(3-bromofuran-2-yl)-2-methoxyethyl]hydrazine
CID 105207395
1-(3-bromofuran-2-yl)-1-cyclobutyl-N-methylmethanamine
CID 64987211
1-(3-bromofuran-2-yl)-N-methyl-1-(4-methyl-2-pyridinyl)methanamine
CID 63942858
N-[(3-bromofuran-2-yl)methyl]-1,1-dimethoxypropan-2-amine
CID 106885364
1-(3-bromofuran-2-yl)-N,N',N'-trimethylpropane-1,3-diamine
CID 115346309
1-(3-bromofuran-2-yl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine
CID 115861591

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-2,2-dimethoxy-N-methylethanamine?
The IUPAC name of 1-(3-bromofuran-2-yl)-2,2-dimethoxy-N-methylethanamine (CID 79492649) is 1-(3-bromofuran-2-yl)-2,2-dimethoxy-N-methylethanamine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-2,2-dimethoxy-N-methylethanamine?
The canonical SMILES for 1-(3-bromofuran-2-yl)-2,2-dimethoxy-N-methylethanamine is CNC(c1occc1Br)C(OC)OC.
What is the InChIKey of 1-(3-bromofuran-2-yl)-2,2-dimethoxy-N-methylethanamine?
The InChIKey is CGNREALYANIAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNO3/c1-11-7(9(12-2)13-3)8-6(10)4-5-14-8/h4-5,7,9,11H,1-3H3.
What are the key properties of 1-(3-bromofuran-2-yl)-2,2-dimethoxy-N-methylethanamine?
1-(3-bromofuran-2-yl)-2,2-dimethoxy-N-methylethanamine has a molecular weight of 264.12 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)-2,2-dimethoxy-N-methylethanamine is sourced from PubChem (CID 79492649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).