1-[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]-N-methylethanamine

C14H15BrFNO — CID 107593417

IUPAC1-[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]-N-methylethanamine
SMILESCNC(C)c1ccc(-c2cc(Br)c(F)cc2C)o1
InChIInChI=1S/C14H15BrFNO/c1-8-6-12(16)11(15)7-10(8)14-5-4-13(18-14)9(2)17-3/h4-7,9,17H,1-3H3
InChIKeyLQOYSQKQDLHEFO-UHFFFAOYSA-N
MW312.18 g/mol
LogP4.44
Rot. Bonds3

About 1-[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]-N-methylethanamine

1-[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]-N-methylethanamine (PubChem CID 107593417) has the molecular formula C14H15BrFNO and a molecular weight of 312.18 g/mol. Its IUPAC name is 1-[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]-N-methylethanamine
PubChem CID107593417
Molecular FormulaC14H15BrFNO
Molecular Weight312.18 g/mol
Exact Mass311.03
IUPAC Name1-[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]-N-methylethanamine
SMILESCNC(C)c1ccc(-c2cc(Br)c(F)cc2C)o1
InChIInChI=1S/C14H15BrFNO/c1-8-6-12(16)11(15)7-10(8)14-5-4-13(18-14)9(2)17-3/h4-7,9,17H,1-3H3
InChIKeyLQOYSQKQDLHEFO-UHFFFAOYSA-N
XLogP4.44
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.18
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]-N-propylpropan-1-amine
CID 107593416
1-[5-(4-fluoro-3-methylphenyl)furan-2-yl]-N-methylethanamine
CID 55118751
N-methyl-1-[5-[2-methyl-5-(trifluoromethyl)phenyl]furan-2-yl]ethanamine
CID 66476806
N-[[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]methyl]propan-1-amine
CID 107593421
1-[5-(2,4-dichlorophenyl)furan-2-yl]-N-methylethanamine
CID 62498906
N-[[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]methyl]cyclopropanamine
CID 107593425
1-[5-[4-bromo-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylethanamine
CID 64855703
1-[5-(4-bromo-2,6-dichlorophenyl)furan-2-yl]-N-methylethanamine
CID 55083769
1-[5-(4-chlorophenyl)furan-2-yl]-N-methylethanamine
CID 62498077
1-[5-(4-bromo-3-nitrophenyl)furan-2-yl]-N-methylethanamine
CID 79768167
methyl 5-[1-(5-bromo-4-fluoro-2-methylanilino)ethyl]furan-2-carboxylate
CID 107592927
1-[5-(2,4-dimethylphenyl)furan-2-yl]-N-ethylethanamine
CID 55083630

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]-N-methylethanamine?
The IUPAC name of 1-[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]-N-methylethanamine (CID 107593417) is 1-[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]-N-methylethanamine.
What is the SMILES notation for 1-[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]-N-methylethanamine?
The canonical SMILES for 1-[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]-N-methylethanamine is CNC(C)c1ccc(-c2cc(Br)c(F)cc2C)o1.
What is the InChIKey of 1-[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]-N-methylethanamine?
The InChIKey is LQOYSQKQDLHEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNO/c1-8-6-12(16)11(15)7-10(8)14-5-4-13(18-14)9(2)17-3/h4-7,9,17H,1-3H3.
What are the key properties of 1-[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]-N-methylethanamine?
1-[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]-N-methylethanamine has a molecular weight of 312.18 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]-N-methylethanamine is sourced from PubChem (CID 107593417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).