N-[(5-bromofuran-2-yl)-(2,6-difluoro-4-methoxyphenyl)methyl]ethanamine

C14H14BrF2NO2 — CID 60964485

IUPACN-[(5-bromofuran-2-yl)-(2,6-difluoro-4-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)o1)c1c(F)cc(OC)cc1F
InChIInChI=1S/C14H14BrF2NO2/c1-3-18-14(11-4-5-12(15)20-11)13-9(16)6-8(19-2)7-10(13)17/h4-7,14,18H,3H2,1-2H3
InChIKeyXGUTWGNICKHWJU-UHFFFAOYSA-N
MW346.17 g/mol
LogP4.03
Rot. Bonds5

About N-[(5-bromofuran-2-yl)-(2,6-difluoro-4-methoxyphenyl)methyl]ethanamine

N-[(5-bromofuran-2-yl)-(2,6-difluoro-4-methoxyphenyl)methyl]ethanamine (PubChem CID 60964485) has the molecular formula C14H14BrF2NO2 and a molecular weight of 346.17 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)-(2,6-difluoro-4-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)-(2,6-difluoro-4-methoxyphenyl)methyl]ethanamine
PubChem CID60964485
Molecular FormulaC14H14BrF2NO2
Molecular Weight346.17 g/mol
Exact Mass345.02
IUPAC NameN-[(5-bromofuran-2-yl)-(2,6-difluoro-4-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)o1)c1c(F)cc(OC)cc1F
InChIInChI=1S/C14H14BrF2NO2/c1-3-18-14(11-4-5-12(15)20-11)13-9(16)6-8(19-2)7-10(13)17/h4-7,14,18H,3H2,1-2H3
InChIKeyXGUTWGNICKHWJU-UHFFFAOYSA-N
XLogP4.03
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.17
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chlorofuran-2-yl)-(2,6-difluoro-4-methoxyphenyl)methyl]ethanamine
CID 106684353
N-[(5-bromofuran-2-yl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 81283890
N-[(5-bromofuran-2-yl)-(2,4-dimethoxyphenyl)methyl]ethanamine
CID 43490697
(5-bromofuran-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanamine
CID 54880486
N-[(5-bromofuran-2-yl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43491302
N-[(2,6-difluoro-4-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine
CID 60964653
N-[(5-bromofuran-2-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine
CID 106883535
N-[(5-bromofuran-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 115854117
N-[(5-bromofuran-2-yl)-(2,5-dimethoxyphenyl)methyl]propan-1-amine
CID 43495206
N-[(2-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methyl]ethanamine
CID 106684349
N-[(5-bromofuran-2-yl)-[4-bromo-2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 107332730
1-(2,6-difluoro-4-methoxyphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 54880574

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)-(2,6-difluoro-4-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(5-bromofuran-2-yl)-(2,6-difluoro-4-methoxyphenyl)methyl]ethanamine (CID 60964485) is N-[(5-bromofuran-2-yl)-(2,6-difluoro-4-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromofuran-2-yl)-(2,6-difluoro-4-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromofuran-2-yl)-(2,6-difluoro-4-methoxyphenyl)methyl]ethanamine is CCNC(c1ccc(Br)o1)c1c(F)cc(OC)cc1F.
What is the InChIKey of N-[(5-bromofuran-2-yl)-(2,6-difluoro-4-methoxyphenyl)methyl]ethanamine?
The InChIKey is XGUTWGNICKHWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrF2NO2/c1-3-18-14(11-4-5-12(15)20-11)13-9(16)6-8(19-2)7-10(13)17/h4-7,14,18H,3H2,1-2H3.
What are the key properties of N-[(5-bromofuran-2-yl)-(2,6-difluoro-4-methoxyphenyl)methyl]ethanamine?
N-[(5-bromofuran-2-yl)-(2,6-difluoro-4-methoxyphenyl)methyl]ethanamine has a molecular weight of 346.17 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)-(2,6-difluoro-4-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 60964485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).