1-(5-bromofuran-2-yl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine

C14H15BrFNO — CID 105051069

IUPAC1-(5-bromofuran-2-yl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1C)c1ccc(Br)o1
InChIInChI=1S/C14H15BrFNO/c1-9-7-11(16)4-3-10(9)8-12(17-2)13-5-6-14(15)18-13/h3-7,12,17H,8H2,1-2H3
InChIKeyXXZOFTNSNBIXLL-UHFFFAOYSA-N
MW312.18 g/mol
LogP3.99
Rot. Bonds4

About 1-(5-bromofuran-2-yl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine

1-(5-bromofuran-2-yl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine (PubChem CID 105051069) has the molecular formula C14H15BrFNO and a molecular weight of 312.18 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
PubChem CID105051069
Molecular FormulaC14H15BrFNO
Molecular Weight312.18 g/mol
Exact Mass311.03
IUPAC Name1-(5-bromofuran-2-yl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1C)c1ccc(Br)o1
InChIInChI=1S/C14H15BrFNO/c1-9-7-11(16)4-3-10(9)8-12(17-2)13-5-6-14(15)18-13/h3-7,12,17H,8H2,1-2H3
InChIKeyXXZOFTNSNBIXLL-UHFFFAOYSA-N
XLogP3.99
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.18
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-fluorophenyl)-1-(5-chlorofuran-2-yl)-N-methylethanamine
CID 106691787
1-(5-bromofuran-2-yl)-N-[2-(4-fluoro-2-methylphenyl)ethyl]ethanamine
CID 104653123
1-(3-bromo-2-methylphenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 105050985
1-(2-bromo-4-chlorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 107995550
1-(3-bromo-5-chlorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 107946919
1-(3-bromo-2-chlorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 105051201
1-(4,5-dimethylthiophen-2-yl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 105051066
2-(4-fluoro-2-methylphenyl)-1-(5-iodothiophen-3-yl)-N-methylethanamine
CID 105050997
1-(5-bromofuran-2-yl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine
CID 103042976
1-(5-bromofuran-2-yl)-2-(4-bromophenyl)-N-methylethanamine
CID 61066395
2-(4-fluoro-2-methylphenyl)-1-(2-iodophenyl)-N-methylethanamine
CID 105050991
1-(2,3-difluorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 105050986

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine?
The IUPAC name of 1-(5-bromofuran-2-yl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine (CID 105051069) is 1-(5-bromofuran-2-yl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine?
The canonical SMILES for 1-(5-bromofuran-2-yl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine is CNC(Cc1ccc(F)cc1C)c1ccc(Br)o1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine?
The InChIKey is XXZOFTNSNBIXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNO/c1-9-7-11(16)4-3-10(9)8-12(17-2)13-5-6-14(15)18-13/h3-7,12,17H,8H2,1-2H3.
What are the key properties of 1-(5-bromofuran-2-yl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine?
1-(5-bromofuran-2-yl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine has a molecular weight of 312.18 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 105051069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).