N-[[2-[(2-bromophenyl)methoxymethyl]furan-3-yl]methyl]ethanamine

C15H18BrNO2 — CID 82825719

IUPACN-[[2-[(2-bromophenyl)methoxymethyl]furan-3-yl]methyl]ethanamine
SMILESCCNCc1ccoc1COCc1ccccc1Br
InChIInChI=1S/C15H18BrNO2/c1-2-17-9-12-7-8-19-15(12)11-18-10-13-5-3-4-6-14(13)16/h3-8,17H,2,9-11H2,1H3
InChIKeyYYGJXFGNPYHTHS-UHFFFAOYSA-N
MW324.22 g/mol
LogP3.87
Rot. Bonds7

About N-[[2-[(2-bromophenyl)methoxymethyl]furan-3-yl]methyl]ethanamine

N-[[2-[(2-bromophenyl)methoxymethyl]furan-3-yl]methyl]ethanamine (PubChem CID 82825719) has the molecular formula C15H18BrNO2 and a molecular weight of 324.22 g/mol. Its IUPAC name is N-[[2-[(2-bromophenyl)methoxymethyl]furan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(2-bromophenyl)methoxymethyl]furan-3-yl]methyl]ethanamine
PubChem CID82825719
Molecular FormulaC15H18BrNO2
Molecular Weight324.22 g/mol
Exact Mass323.05
IUPAC NameN-[[2-[(2-bromophenyl)methoxymethyl]furan-3-yl]methyl]ethanamine
SMILESCCNCc1ccoc1COCc1ccccc1Br
InChIInChI=1S/C15H18BrNO2/c1-2-17-9-12-7-8-19-15(12)11-18-10-13-5-3-4-6-14(13)16/h3-8,17H,2,9-11H2,1H3
InChIKeyYYGJXFGNPYHTHS-UHFFFAOYSA-N
XLogP3.87
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-[(2-bromophenyl)methoxymethyl]furan-3-yl]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

N-[[2-(heptoxymethyl)furan-3-yl]methyl]ethanamine
CID 62455259
N-[[2-(1-ethoxypropan-2-yloxymethyl)furan-3-yl]methyl]ethanamine
CID 103490484
N-[[2-[(2-tert-butylphenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 62452007
1-(2-bromophenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine
CID 115652969
N-[[2-[(2-prop-1-enylphenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 76943591
N-[[2-[(3-methylphenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 62452706
N-[[3-(2-propoxyethoxymethyl)furan-2-yl]methyl]ethanamine
CID 63685510
N-[[2-[(2-bromophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 105391709
N-[[2-[(4-bromo-2-propan-2-ylphenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 115402761
N-[[2-(quinolin-3-yloxymethyl)furan-3-yl]methyl]ethanamine
CID 107387788
N-[[2-[(3-methylsulfonylphenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 62484329
N-[[2-[(2-ethylcyclohexyl)oxymethyl]furan-3-yl]methyl]ethanamine
CID 62445110

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-bromophenyl)methoxymethyl]furan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[2-[(2-bromophenyl)methoxymethyl]furan-3-yl]methyl]ethanamine (CID 82825719) is N-[[2-[(2-bromophenyl)methoxymethyl]furan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(2-bromophenyl)methoxymethyl]furan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(2-bromophenyl)methoxymethyl]furan-3-yl]methyl]ethanamine is CCNCc1ccoc1COCc1ccccc1Br.
What is the InChIKey of N-[[2-[(2-bromophenyl)methoxymethyl]furan-3-yl]methyl]ethanamine?
The InChIKey is YYGJXFGNPYHTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO2/c1-2-17-9-12-7-8-19-15(12)11-18-10-13-5-3-4-6-14(13)16/h3-8,17H,2,9-11H2,1H3.
What are the key properties of N-[[2-[(2-bromophenyl)methoxymethyl]furan-3-yl]methyl]ethanamine?
N-[[2-[(2-bromophenyl)methoxymethyl]furan-3-yl]methyl]ethanamine has a molecular weight of 324.22 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-bromophenyl)methoxymethyl]furan-3-yl]methyl]ethanamine is sourced from PubChem (CID 82825719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).