N-[(5-bromofuran-2-yl)methyl]-1-(2-fluorophenyl)-N-methylethanamine

C14H15BrFNO — CID 78897575

IUPACN-[(5-bromofuran-2-yl)methyl]-1-(2-fluorophenyl)-N-methylethanamine
SMILESCC(c1ccccc1F)N(C)Cc1ccc(Br)o1
InChIInChI=1S/C14H15BrFNO/c1-10(12-5-3-4-6-13(12)16)17(2)9-11-7-8-14(15)18-11/h3-8,10H,9H2,1-2H3
InChIKeyDTSQYGURNBXNJG-UHFFFAOYSA-N
MW312.18 g/mol
LogP4.37
Rot. Bonds4

About N-[(5-bromofuran-2-yl)methyl]-1-(2-fluorophenyl)-N-methylethanamine

N-[(5-bromofuran-2-yl)methyl]-1-(2-fluorophenyl)-N-methylethanamine (PubChem CID 78897575) has the molecular formula C14H15BrFNO and a molecular weight of 312.18 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)methyl]-1-(2-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)methyl]-1-(2-fluorophenyl)-N-methylethanamine
PubChem CID78897575
Molecular FormulaC14H15BrFNO
Molecular Weight312.18 g/mol
Exact Mass311.03
IUPAC NameN-[(5-bromofuran-2-yl)methyl]-1-(2-fluorophenyl)-N-methylethanamine
SMILESCC(c1ccccc1F)N(C)Cc1ccc(Br)o1
InChIInChI=1S/C14H15BrFNO/c1-10(12-5-3-4-6-13(12)16)17(2)9-11-7-8-14(15)18-11/h3-8,10H,9H2,1-2H3
InChIKeyDTSQYGURNBXNJG-UHFFFAOYSA-N
XLogP4.37
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.18
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]aniline
CID 62980354
N-[(3-bromo-4-fluorophenyl)methyl]-1-(2-fluorophenyl)-N-methylethanamine
CID 63457680
4-fluoro-2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]aniline
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1-(2-fluorophenyl)-N-methyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]ethanamine
CID 62984925
[2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]phenyl]boronic acid
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1-(2-fluorophenyl)-N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]ethanamine
CID 62985620
1-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62980625
[5-[[cyclopropyl-[(1S)-1-(2-fluorophenyl)ethyl]amino]methyl]furan-2-yl]methanol
CID 99780599
4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]benzonitrile
CID 60964750
4-[[[(1R)-1-(2-fluorophenyl)ethyl]-methylamino]methyl]-1-methylpyridin-2-one
CID 94417275
N-benzyl-2-[(5-bromofuran-2-yl)methyl-methylamino]-N-methylpropanamide
CID 86984192
2-[1-(2-fluorophenyl)ethyl-methylamino]acetic acid
CID 62979540

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)methyl]-1-(2-fluorophenyl)-N-methylethanamine?
The IUPAC name of N-[(5-bromofuran-2-yl)methyl]-1-(2-fluorophenyl)-N-methylethanamine (CID 78897575) is N-[(5-bromofuran-2-yl)methyl]-1-(2-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for N-[(5-bromofuran-2-yl)methyl]-1-(2-fluorophenyl)-N-methylethanamine?
The canonical SMILES for N-[(5-bromofuran-2-yl)methyl]-1-(2-fluorophenyl)-N-methylethanamine is CC(c1ccccc1F)N(C)Cc1ccc(Br)o1.
What is the InChIKey of N-[(5-bromofuran-2-yl)methyl]-1-(2-fluorophenyl)-N-methylethanamine?
The InChIKey is DTSQYGURNBXNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNO/c1-10(12-5-3-4-6-13(12)16)17(2)9-11-7-8-14(15)18-11/h3-8,10H,9H2,1-2H3.
What are the key properties of N-[(5-bromofuran-2-yl)methyl]-1-(2-fluorophenyl)-N-methylethanamine?
N-[(5-bromofuran-2-yl)methyl]-1-(2-fluorophenyl)-N-methylethanamine has a molecular weight of 312.18 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)methyl]-1-(2-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 78897575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).