1-[(5-bromofuran-2-yl)methyl-methylamino]propan-2-ol

C9H14BrNO2 — CID 62335415

IUPAC1-[(5-bromofuran-2-yl)methyl-methylamino]propan-2-ol
SMILESCC(O)CN(C)Cc1ccc(Br)o1
InChIInChI=1S/C9H14BrNO2/c1-7(12)5-11(2)6-8-3-4-9(10)13-8/h3-4,7,12H,5-6H2,1-2H3
InChIKeyUDWDDVZSXSHJFQ-UHFFFAOYSA-N
MW248.12 g/mol
LogP1.85
Rot. Bonds4

About 1-[(5-bromofuran-2-yl)methyl-methylamino]propan-2-ol

1-[(5-bromofuran-2-yl)methyl-methylamino]propan-2-ol (PubChem CID 62335415) has the molecular formula C9H14BrNO2 and a molecular weight of 248.12 g/mol. Its IUPAC name is 1-[(5-bromofuran-2-yl)methyl-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(5-bromofuran-2-yl)methyl-methylamino]propan-2-ol
PubChem CID62335415
Molecular FormulaC9H14BrNO2
Molecular Weight248.12 g/mol
Exact Mass247.02
IUPAC Name1-[(5-bromofuran-2-yl)methyl-methylamino]propan-2-ol
SMILESCC(O)CN(C)Cc1ccc(Br)o1
InChIInChI=1S/C9H14BrNO2/c1-7(12)5-11(2)6-8-3-4-9(10)13-8/h3-4,7,12H,5-6H2,1-2H3
InChIKeyUDWDDVZSXSHJFQ-UHFFFAOYSA-N
XLogP1.85
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.12
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(5-bromofuran-2-yl)methyl-methylamino]propan-2-ol 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-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]propan-2-ol
CID 62334158
1-[methyl-[(5-nitrofuran-2-yl)methyl]amino]propan-2-ol
CID 62335414
1-[(5-bromofuran-2-yl)methyl]-1-methylurea
CID 131134231
1-[(5-bromothiophen-2-yl)methyl-methylamino]propan-2-ol
CID 62332796
2-bromo-5-[[methyl(sulfamoyl)amino]methyl]furan
CID 112684674
N-[(5-bromofuran-2-yl)methyl]-N-methyl-2-[(S)-phenylsulfinyl]ethanamine
CID 95334180
3-[(5-bromofuran-2-yl)methyl-methylamino]-3-oxopropanoic acid
CID 62232100
3-[(5-bromofuran-2-yl)methyl-methylamino]-N-(2-methylsulfanylphenyl)propanamide
CID 37423353
N-[(5-bromofuran-2-yl)methyl]-1-(2-fluorophenyl)-N-methylethanamine
CID 78897575
N-[(5-bromofuran-2-yl)methyl]-N,5-dimethylthiophene-2-carboxamide
CID 71690397
1-[(5-bromofuran-2-yl)methyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 99699895
N-[(5-bromofuran-2-yl)methyl]-3-chloro-N-methylpropanamide
CID 60949729

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromofuran-2-yl)methyl-methylamino]propan-2-ol?
The IUPAC name of 1-[(5-bromofuran-2-yl)methyl-methylamino]propan-2-ol (CID 62335415) is 1-[(5-bromofuran-2-yl)methyl-methylamino]propan-2-ol.
What is the SMILES notation for 1-[(5-bromofuran-2-yl)methyl-methylamino]propan-2-ol?
The canonical SMILES for 1-[(5-bromofuran-2-yl)methyl-methylamino]propan-2-ol is CC(O)CN(C)Cc1ccc(Br)o1.
What is the InChIKey of 1-[(5-bromofuran-2-yl)methyl-methylamino]propan-2-ol?
The InChIKey is UDWDDVZSXSHJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNO2/c1-7(12)5-11(2)6-8-3-4-9(10)13-8/h3-4,7,12H,5-6H2,1-2H3.
What are the key properties of 1-[(5-bromofuran-2-yl)methyl-methylamino]propan-2-ol?
1-[(5-bromofuran-2-yl)methyl-methylamino]propan-2-ol has a molecular weight of 248.12 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromofuran-2-yl)methyl-methylamino]propan-2-ol is sourced from PubChem (CID 62335415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).