1-(3-bromo-4-fluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine

C14H15BrFNO — CID 81403303

IUPAC1-(3-bromo-4-fluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine
SMILESCC(N[C@H](C)c1ccco1)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H15BrFNO/c1-9(11-5-6-13(16)12(15)8-11)17-10(2)14-4-3-7-18-14/h3-10,17H,1-2H3/t9?,10-/m1/s1
InChIKeyYQJSCGBETXDGPG-QVDQXJPCSA-N
MW312.18 g/mol
LogP4.59
Rot. Bonds4

About 1-(3-bromo-4-fluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine

1-(3-bromo-4-fluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine (PubChem CID 81403303) has the molecular formula C14H15BrFNO and a molecular weight of 312.18 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine
PubChem CID81403303
Molecular FormulaC14H15BrFNO
Molecular Weight312.18 g/mol
Exact Mass311.03
IUPAC Name1-(3-bromo-4-fluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine
SMILESCC(N[C@H](C)c1ccco1)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H15BrFNO/c1-9(11-5-6-13(16)12(15)8-11)17-10(2)14-4-3-7-18-14/h3-10,17H,1-2H3/t9?,10-/m1/s1
InChIKeyYQJSCGBETXDGPG-QVDQXJPCSA-N
XLogP4.59
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.18
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-phenylethanamine
CID 43755957
1-(4-chlorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine
CID 81403869
[(3-bromo-4-fluorophenyl)-(furan-2-yl)methyl]hydrazine
CID 105263985
N-[1-(3,5-dimethylphenyl)ethyl]-1-(furan-2-yl)ethanamine
CID 81301586
N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 60944542
5-[1-[[(1S)-1-(furan-2-yl)ethyl]amino]ethyl]benzene-1,3-diol
CID 107706935
(1R)-N-[1-(furan-2-yl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81350046
1-(3-bromo-4-fluorophenyl)-N-(1-pyridin-3-ylethyl)ethanamine
CID 43768152
(1R)-N-[1-(furan-2-yl)ethyl]-1-phenylethanamine
CID 81351264
N-[1-(furan-2-yl)ethyl]-1-phenylethanamine
CID 43177136
(1S)-N-[1-(furan-2-yl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 81376667
3-[1-(3-bromo-4-fluorophenyl)ethylamino]butan-1-ol
CID 81339647

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine (CID 81403303) is 1-(3-bromo-4-fluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine is CC(N[C@H](C)c1ccco1)c1ccc(F)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine?
The InChIKey is YQJSCGBETXDGPG-QVDQXJPCSA-N. The full InChI is InChI=1S/C14H15BrFNO/c1-9(11-5-6-13(16)12(15)8-11)17-10(2)14-4-3-7-18-14/h3-10,17H,1-2H3/t9?,10-/m1/s1.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine?
1-(3-bromo-4-fluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine has a molecular weight of 312.18 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine is sourced from PubChem (CID 81403303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).