(1R)-N-[(5-bromofuran-2-yl)methyl]-1-(3-fluorophenyl)ethanamine

C13H13BrFNO — CID 28682704

IUPAC(1R)-N-[(5-bromofuran-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
SMILESC[C@@H](NCc1ccc(Br)o1)c1cccc(F)c1
InChIInChI=1S/C13H13BrFNO/c1-9(10-3-2-4-11(15)7-10)16-8-12-5-6-13(14)17-12/h2-7,9,16H,8H2,1H3/t9-/m1/s1
InChIKeyACMRGNPDJGCTSX-SECBINFHSA-N
MW298.16 g/mol
LogP4.03
Rot. Bonds4

About (1R)-N-[(5-bromofuran-2-yl)methyl]-1-(3-fluorophenyl)ethanamine

(1R)-N-[(5-bromofuran-2-yl)methyl]-1-(3-fluorophenyl)ethanamine (PubChem CID 28682704) has the molecular formula C13H13BrFNO and a molecular weight of 298.16 g/mol. Its IUPAC name is (1R)-N-[(5-bromofuran-2-yl)methyl]-1-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(5-bromofuran-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
PubChem CID28682704
Molecular FormulaC13H13BrFNO
Molecular Weight298.16 g/mol
Exact Mass297.02
IUPAC Name(1R)-N-[(5-bromofuran-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
SMILESC[C@@H](NCc1ccc(Br)o1)c1cccc(F)c1
InChIInChI=1S/C13H13BrFNO/c1-9(10-3-2-4-11(15)7-10)16-8-12-5-6-13(14)17-12/h2-7,9,16H,8H2,1H3/t9-/m1/s1
InChIKeyACMRGNPDJGCTSX-SECBINFHSA-N
XLogP4.03
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.16
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R)-N-[(5-bromofuran-2-yl)methyl]-1-(3-fluorophenyl)ethanamine with MolForge

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Related Compounds

5-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]furan-2-sulfonamide
CID 81364945
N-[(5-bromofuran-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 43225812
N-[(5-bromofuran-2-yl)methyl]-1-(4-ethylphenyl)ethanamine
CID 43223765
N-[(5-bromofuran-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 43180998
(1S)-N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 81436844
(1R)-1-(3-bromophenyl)-N-[(5-ethylfuran-2-yl)methyl]ethanamine
CID 81372648
N-[(5-bromofuran-2-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43224333
1-(3-bromophenyl)-N-[(5-iodofuran-2-yl)methyl]ethanamine
CID 43779045
(1R)-N-[(5-bromofuran-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 81371270
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 113246407
N-[(5-bromofuran-2-yl)methyl]-1-(3-fluorophenyl)methanamine
CID 43123260
N-[(4-bromo-2-chlorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 115598223

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(5-bromofuran-2-yl)methyl]-1-(3-fluorophenyl)ethanamine?
The IUPAC name of (1R)-N-[(5-bromofuran-2-yl)methyl]-1-(3-fluorophenyl)ethanamine (CID 28682704) is (1R)-N-[(5-bromofuran-2-yl)methyl]-1-(3-fluorophenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(5-bromofuran-2-yl)methyl]-1-(3-fluorophenyl)ethanamine?
The canonical SMILES for (1R)-N-[(5-bromofuran-2-yl)methyl]-1-(3-fluorophenyl)ethanamine is C[C@@H](NCc1ccc(Br)o1)c1cccc(F)c1.
What is the InChIKey of (1R)-N-[(5-bromofuran-2-yl)methyl]-1-(3-fluorophenyl)ethanamine?
The InChIKey is ACMRGNPDJGCTSX-SECBINFHSA-N. The full InChI is InChI=1S/C13H13BrFNO/c1-9(10-3-2-4-11(15)7-10)16-8-12-5-6-13(14)17-12/h2-7,9,16H,8H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-N-[(5-bromofuran-2-yl)methyl]-1-(3-fluorophenyl)ethanamine?
(1R)-N-[(5-bromofuran-2-yl)methyl]-1-(3-fluorophenyl)ethanamine has a molecular weight of 298.16 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(5-bromofuran-2-yl)methyl]-1-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 28682704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).