1-(5-bromofuran-2-yl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine

C15H18BrNO2 — CID 104652747

IUPAC1-(5-bromofuran-2-yl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine
SMILESCOCc1ccccc1CNC(C)c1ccc(Br)o1
InChIInChI=1S/C15H18BrNO2/c1-11(14-7-8-15(16)19-14)17-9-12-5-3-4-6-13(12)10-18-2/h3-8,11,17H,9-10H2,1-2H3
InChIKeySVLOVSVONYUZID-UHFFFAOYSA-N
MW324.22 g/mol
LogP4.04
Rot. Bonds6

About 1-(5-bromofuran-2-yl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine

1-(5-bromofuran-2-yl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine (PubChem CID 104652747) has the molecular formula C15H18BrNO2 and a molecular weight of 324.22 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine
PubChem CID104652747
Molecular FormulaC15H18BrNO2
Molecular Weight324.22 g/mol
Exact Mass323.05
IUPAC Name1-(5-bromofuran-2-yl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine
SMILESCOCc1ccccc1CNC(C)c1ccc(Br)o1
InChIInChI=1S/C15H18BrNO2/c1-11(14-7-8-15(16)19-14)17-9-12-5-3-4-6-13(12)10-18-2/h3-8,11,17H,9-10H2,1-2H3
InChIKeySVLOVSVONYUZID-UHFFFAOYSA-N
XLogP4.04
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-bromofuran-2-yl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine 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

4-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine
CID 54861814
4-[[1-(5-bromofuran-2-yl)ethylamino]methyl]phenol
CID 114331426
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine
CID 79236645
N-[1-(5-bromofuran-2-yl)ethyl]-2-(2-methoxyethyl)aniline
CID 102903779
N-[[2-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine
CID 54861778
1-[1-(5-bromofuran-2-yl)ethylamino]-3-methoxypropan-2-ol
CID 104653027
N-[1-(5-bromofuran-2-yl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
CID 104652788
N-[[2-(methoxymethyl)phenyl]methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115878963
1-(2,3-difluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine
CID 103924687
3-[[2-(methoxymethyl)phenyl]methylamino]-2-methylbutan-2-ol
CID 65338098
1-(2,5-dichlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine
CID 60924210
4-[1-(5-bromofuran-2-yl)ethylamino]-1-methoxybutan-2-ol
CID 107093913

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine?
The IUPAC name of 1-(5-bromofuran-2-yl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine (CID 104652747) is 1-(5-bromofuran-2-yl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine?
The canonical SMILES for 1-(5-bromofuran-2-yl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine is COCc1ccccc1CNC(C)c1ccc(Br)o1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine?
The InChIKey is SVLOVSVONYUZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO2/c1-11(14-7-8-15(16)19-14)17-9-12-5-3-4-6-13(12)10-18-2/h3-8,11,17H,9-10H2,1-2H3.
What are the key properties of 1-(5-bromofuran-2-yl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine?
1-(5-bromofuran-2-yl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine has a molecular weight of 324.22 g/mol, XLogP of 4.04, 6 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)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 104652747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).