N-[(3-bromo-2-fluorophenyl)-(furan-2-yl)methyl]ethanamine

C13H13BrFNO — CID 106645508

IUPACN-[(3-bromo-2-fluorophenyl)-(furan-2-yl)methyl]ethanamine
SMILESCCNC(c1ccco1)c1cccc(Br)c1F
InChIInChI=1S/C13H13BrFNO/c1-2-16-13(11-7-4-8-17-11)9-5-3-6-10(14)12(9)15/h3-8,13,16H,2H2,1H3
InChIKeyPUXJWPIGIDDNPK-UHFFFAOYSA-N
MW298.15 g/mol
LogP3.88
Rot. Bonds4

About N-[(3-bromo-2-fluorophenyl)-(furan-2-yl)methyl]ethanamine

N-[(3-bromo-2-fluorophenyl)-(furan-2-yl)methyl]ethanamine (PubChem CID 106645508) has the molecular formula C13H13BrFNO and a molecular weight of 298.15 g/mol. Its IUPAC name is N-[(3-bromo-2-fluorophenyl)-(furan-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromo-2-fluorophenyl)-(furan-2-yl)methyl]ethanamine
PubChem CID106645508
Molecular FormulaC13H13BrFNO
Molecular Weight298.15 g/mol
Exact Mass297.02
IUPAC NameN-[(3-bromo-2-fluorophenyl)-(furan-2-yl)methyl]ethanamine
SMILESCCNC(c1ccco1)c1cccc(Br)c1F
InChIInChI=1S/C13H13BrFNO/c1-2-16-13(11-7-4-8-17-11)9-5-3-6-10(14)12(9)15/h3-8,13,16H,2H2,1H3
InChIKeyPUXJWPIGIDDNPK-UHFFFAOYSA-N
XLogP3.88
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.15
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-fluoro-3-methylphenyl)-(furan-2-yl)methyl]ethanamine
CID 81478017
N-[(2-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]ethanamine
CID 82808349
N-[(2-bromo-3,4-difluorophenyl)-(furan-2-yl)methyl]ethanamine
CID 107539325
N-[(2-bromo-6-fluorophenyl)-(3-bromo-2-fluorophenyl)methyl]ethanamine
CID 106646204
N-[(4-bromo-2,6-difluorophenyl)-(3-bromo-2-fluorophenyl)methyl]ethanamine
CID 106648036
N-[(3-bromo-2-fluorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine
CID 106647623
N-[(3-bromofuran-2-yl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
CID 115861624
N-[(3-bromo-2-fluorophenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 106645960
N-[(3-bromofuran-2-yl)-(2,3-difluorophenyl)methyl]ethanamine
CID 115861384
5-bromo-6-[ethylamino(furan-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 62373407
N-[furan-2-yl-(3,4,5-trifluorophenyl)methyl]ethanamine
CID 63185696
N-[(3-bromo-2-fluorophenyl)-pyridazin-4-ylmethyl]ethanamine
CID 106647759

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-2-fluorophenyl)-(furan-2-yl)methyl]ethanamine?
The IUPAC name of N-[(3-bromo-2-fluorophenyl)-(furan-2-yl)methyl]ethanamine (CID 106645508) is N-[(3-bromo-2-fluorophenyl)-(furan-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-bromo-2-fluorophenyl)-(furan-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-bromo-2-fluorophenyl)-(furan-2-yl)methyl]ethanamine is CCNC(c1ccco1)c1cccc(Br)c1F.
What is the InChIKey of N-[(3-bromo-2-fluorophenyl)-(furan-2-yl)methyl]ethanamine?
The InChIKey is PUXJWPIGIDDNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFNO/c1-2-16-13(11-7-4-8-17-11)9-5-3-6-10(14)12(9)15/h3-8,13,16H,2H2,1H3.
What are the key properties of N-[(3-bromo-2-fluorophenyl)-(furan-2-yl)methyl]ethanamine?
N-[(3-bromo-2-fluorophenyl)-(furan-2-yl)methyl]ethanamine has a molecular weight of 298.15 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-2-fluorophenyl)-(furan-2-yl)methyl]ethanamine is sourced from PubChem (CID 106645508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).