N-[(2-bromofuran-3-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine

C14H15BrFNO2 — CID 106851642

IUPACN-[(2-bromofuran-3-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1cc(F)ccc1OC)c1ccoc1Br
InChIInChI=1S/C14H15BrFNO2/c1-3-17-13(10-6-7-19-14(10)15)11-8-9(16)4-5-12(11)18-2/h4-8,13,17H,3H2,1-2H3
InChIKeyVXDGWCZFOQGEIX-UHFFFAOYSA-N
MW328.18 g/mol
LogP3.89
Rot. Bonds5

About N-[(2-bromofuran-3-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine

N-[(2-bromofuran-3-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine (PubChem CID 106851642) has the molecular formula C14H15BrFNO2 and a molecular weight of 328.18 g/mol. Its IUPAC name is N-[(2-bromofuran-3-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-bromofuran-3-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
PubChem CID106851642
Molecular FormulaC14H15BrFNO2
Molecular Weight328.18 g/mol
Exact Mass327.03
IUPAC NameN-[(2-bromofuran-3-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1cc(F)ccc1OC)c1ccoc1Br
InChIInChI=1S/C14H15BrFNO2/c1-3-17-13(10-6-7-19-14(10)15)11-8-9(16)4-5-12(11)18-2/h4-8,13,17H,3H2,1-2H3
InChIKeyVXDGWCZFOQGEIX-UHFFFAOYSA-N
XLogP3.89
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.18
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-3-[chloro-(5-fluoro-2-methoxyphenyl)methyl]furan
CID 106855501
N-[(2-bromofuran-3-yl)-(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 106858390
N-[(2-bromofuran-3-yl)-(5-chloro-2-methoxyphenyl)methyl]propan-1-amine
CID 106851959
N-[(5-bromothiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
CID 43492175
N-[(2-bromofuran-3-yl)-(2,5-difluorophenyl)methyl]propan-1-amine
CID 106851680
N-[(3-chloro-2-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
CID 81267028
N-[(5-bromo-3-pyridinyl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
CID 43492196
N-[(2-chlorofuran-3-yl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine
CID 106684605
N-[(5-fluoro-2-methoxyphenyl)-pyrimidin-2-ylmethyl]ethanamine
CID 82769775
N-[(5-bromo-2-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine
CID 43487880
N-[(5-fluoro-2-methoxyphenyl)-pyridin-2-ylmethyl]ethanamine
CID 82770974
N-[(5-fluoro-2-methoxyphenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine
CID 82769634

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromofuran-3-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-bromofuran-3-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine (CID 106851642) is N-[(2-bromofuran-3-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-bromofuran-3-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-bromofuran-3-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine is CCNC(c1cc(F)ccc1OC)c1ccoc1Br.
What is the InChIKey of N-[(2-bromofuran-3-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine?
The InChIKey is VXDGWCZFOQGEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNO2/c1-3-17-13(10-6-7-19-14(10)15)11-8-9(16)4-5-12(11)18-2/h4-8,13,17H,3H2,1-2H3.
What are the key properties of N-[(2-bromofuran-3-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine?
N-[(2-bromofuran-3-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine has a molecular weight of 328.18 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromofuran-3-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 106851642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).