(5-bromofuran-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanamine

C12H10BrF2NO2 — CID 54880486

IUPAC(5-bromofuran-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanamine
SMILESCOc1cc(F)c(C(N)c2ccc(Br)o2)c(F)c1
InChIInChI=1S/C12H10BrF2NO2/c1-17-6-4-7(14)11(8(15)5-6)12(16)9-2-3-10(13)18-9/h2-5,12H,16H2,1H3
InChIKeyZSSLRMPQIJGIOD-UHFFFAOYSA-N
MW318.12 g/mol
LogP3.38
Rot. Bonds3

About (5-bromofuran-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanamine

(5-bromofuran-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanamine (PubChem CID 54880486) has the molecular formula C12H10BrF2NO2 and a molecular weight of 318.12 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanamine
PubChem CID54880486
Molecular FormulaC12H10BrF2NO2
Molecular Weight318.12 g/mol
Exact Mass316.99
IUPAC Name(5-bromofuran-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanamine
SMILESCOc1cc(F)c(C(N)c2ccc(Br)o2)c(F)c1
InChIInChI=1S/C12H10BrF2NO2/c1-17-6-4-7(14)11(8(15)5-6)12(16)9-2-3-10(13)18-9/h2-5,12H,16H2,1H3
InChIKeyZSSLRMPQIJGIOD-UHFFFAOYSA-N
XLogP3.38
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.12
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromofuran-2-yl)-(2,6-difluoro-4-methoxyphenyl)methyl]ethanamine
CID 60964485
(5-bromofuran-2-yl)-(2-chloro-4-methoxyphenyl)methanamine
CID 43561843
(2,6-difluoro-4-methoxyphenyl)-(4-propan-2-ylphenyl)methanamine
CID 60964329
(2,6-difluoro-4-methoxyphenyl)-(2,5-dimethylfuran-3-yl)methanamine
CID 54880487
(5-bromo-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanamine
CID 79981146
(2,6-difluoro-4-methoxyphenyl)-(2,4,6-trimethylphenyl)methanamine
CID 60965951
(R)-(2,6-difluoro-4-methoxyphenyl)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanamine
CID 171191241
(1S)-1-(2,6-difluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 118992875
1-(2,6-difluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 118992878
(5-bromofuran-2-yl)-(2,4-difluorophenyl)methanamine
CID 43464215
(2,6-difluoro-4-methoxyphenyl)-(2,4-dimethylphenyl)methanamine
CID 60964479
(2-chlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanamine
CID 54880557

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanamine?
The IUPAC name of (5-bromofuran-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanamine (CID 54880486) is (5-bromofuran-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanamine.
What is the SMILES notation for (5-bromofuran-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanamine?
The canonical SMILES for (5-bromofuran-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanamine is COc1cc(F)c(C(N)c2ccc(Br)o2)c(F)c1.
What is the InChIKey of (5-bromofuran-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanamine?
The InChIKey is ZSSLRMPQIJGIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF2NO2/c1-17-6-4-7(14)11(8(15)5-6)12(16)9-2-3-10(13)18-9/h2-5,12H,16H2,1H3.
What are the key properties of (5-bromofuran-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanamine?
(5-bromofuran-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanamine has a molecular weight of 318.12 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanamine is sourced from PubChem (CID 54880486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).