N-[[5-[(3-bromophenyl)methoxymethyl]furan-3-yl]methyl]ethanamine

C15H18BrNO2 — CID 82832395

IUPACN-[[5-[(3-bromophenyl)methoxymethyl]furan-3-yl]methyl]ethanamine
SMILESCCNCc1coc(COCc2cccc(Br)c2)c1
InChIInChI=1S/C15H18BrNO2/c1-2-17-8-13-7-15(19-10-13)11-18-9-12-4-3-5-14(16)6-12/h3-7,10,17H,2,8-9,11H2,1H3
InChIKeyFQIOSGWJOQSURN-UHFFFAOYSA-N
MW324.22 g/mol
LogP3.87
Rot. Bonds7

About N-[[5-[(3-bromophenyl)methoxymethyl]furan-3-yl]methyl]ethanamine

N-[[5-[(3-bromophenyl)methoxymethyl]furan-3-yl]methyl]ethanamine (PubChem CID 82832395) has the molecular formula C15H18BrNO2 and a molecular weight of 324.22 g/mol. Its IUPAC name is N-[[5-[(3-bromophenyl)methoxymethyl]furan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[(3-bromophenyl)methoxymethyl]furan-3-yl]methyl]ethanamine
PubChem CID82832395
Molecular FormulaC15H18BrNO2
Molecular Weight324.22 g/mol
Exact Mass323.05
IUPAC NameN-[[5-[(3-bromophenyl)methoxymethyl]furan-3-yl]methyl]ethanamine
SMILESCCNCc1coc(COCc2cccc(Br)c2)c1
InChIInChI=1S/C15H18BrNO2/c1-2-17-8-13-7-15(19-10-13)11-18-9-12-4-3-5-14(16)6-12/h3-7,10,17H,2,8-9,11H2,1H3
InChIKeyFQIOSGWJOQSURN-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

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Related Compounds

N-[[3-[(4-bromophenyl)methoxymethyl]phenyl]methyl]ethanamine
CID 82831547
N-[[3-[(3-bromophenyl)methoxymethyl]phenyl]methyl]propan-1-amine
CID 82808184
N-[[5-[(5-bromo-2-methylphenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 107286269
N-[[5-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]ethanamine
CID 66227074
N-[[5-(pentoxymethyl)furan-3-yl]methyl]ethanamine
CID 62450269
N-[[5-(2-thiophen-2-ylethoxymethyl)furan-3-yl]methyl]ethanamine
CID 62486002
N-[[5-(3-methylbut-3-enoxymethyl)furan-3-yl]methyl]ethanamine
CID 114470778
N-[[3-[(3-methoxy-3-methylbutoxy)methyl]phenyl]methyl]ethanamine
CID 106667655
1-(3-bromophenyl)-N-[[2-(ethoxymethyl)phenyl]methyl]methanamine
CID 60752045
N-[[5-[(4-propylphenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 62548921
N-[[2-[(3-bromophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 82831306
1-bromo-3-(propoxymethyl)benzene
CID 57057286

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3-bromophenyl)methoxymethyl]furan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[(3-bromophenyl)methoxymethyl]furan-3-yl]methyl]ethanamine (CID 82832395) is N-[[5-[(3-bromophenyl)methoxymethyl]furan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[(3-bromophenyl)methoxymethyl]furan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[(3-bromophenyl)methoxymethyl]furan-3-yl]methyl]ethanamine is CCNCc1coc(COCc2cccc(Br)c2)c1.
What is the InChIKey of N-[[5-[(3-bromophenyl)methoxymethyl]furan-3-yl]methyl]ethanamine?
The InChIKey is FQIOSGWJOQSURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO2/c1-2-17-8-13-7-15(19-10-13)11-18-9-12-4-3-5-14(16)6-12/h3-7,10,17H,2,8-9,11H2,1H3.
What are the key properties of N-[[5-[(3-bromophenyl)methoxymethyl]furan-3-yl]methyl]ethanamine?
N-[[5-[(3-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-[[5-[(3-bromophenyl)methoxymethyl]furan-3-yl]methyl]ethanamine is sourced from PubChem (CID 82832395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).