1-(5-bromofuran-2-yl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine

C13H12BrClFNO — CID 103042976

IUPAC1-(5-bromofuran-2-yl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)c(Cl)c1)c1ccc(Br)o1
InChIInChI=1S/C13H12BrClFNO/c1-17-11(12-4-5-13(14)18-12)7-8-2-3-10(16)9(15)6-8/h2-6,11,17H,7H2,1H3
InChIKeyALVBDSUMOFEFRF-UHFFFAOYSA-N
MW332.60 g/mol
LogP4.34
Rot. Bonds4

About 1-(5-bromofuran-2-yl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine

1-(5-bromofuran-2-yl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine (PubChem CID 103042976) has the molecular formula C13H12BrClFNO and a molecular weight of 332.60 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine
PubChem CID103042976
Molecular FormulaC13H12BrClFNO
Molecular Weight332.60 g/mol
Exact Mass330.98
IUPAC Name1-(5-bromofuran-2-yl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)c(Cl)c1)c1ccc(Br)o1
InChIInChI=1S/C13H12BrClFNO/c1-17-11(12-4-5-13(14)18-12)7-8-2-3-10(16)9(15)6-8/h2-6,11,17H,7H2,1H3
InChIKeyALVBDSUMOFEFRF-UHFFFAOYSA-N
XLogP4.34
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.60
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 103039760
1-(5-bromofuran-2-yl)-2-(4-bromophenyl)-N-methylethanamine
CID 61066395
1-(2-bromophenyl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine
CID 103039915
1-(3-bromo-5-fluorophenyl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine
CID 103040190
1-(5-bromofuran-2-yl)-1-(3-chloro-4-fluorophenyl)-N-methylmethanamine
CID 82874924
1-(5-bromofuran-2-yl)-N-methyl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 62114221
[2-(3-chloro-4-fluorophenyl)-1-(5-chlorofuran-2-yl)ethyl]hydrazine
CID 106694830
2-(3-bromo-4-fluorophenyl)-1-(5-bromofuran-2-yl)-N-ethylethanamine
CID 115818887
1-(3-bromo-2-methylphenyl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine
CID 103043118
2-(3-chloro-4-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)-N-methylethanamine
CID 103040452
2-(3-chloro-4-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 103043135
1-(5-bromofuran-2-yl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 105051069

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(5-bromofuran-2-yl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine (CID 103042976) is 1-(5-bromofuran-2-yl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(5-bromofuran-2-yl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine is CNC(Cc1ccc(F)c(Cl)c1)c1ccc(Br)o1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine?
The InChIKey is ALVBDSUMOFEFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClFNO/c1-17-11(12-4-5-13(14)18-12)7-8-2-3-10(16)9(15)6-8/h2-6,11,17H,7H2,1H3.
What are the key properties of 1-(5-bromofuran-2-yl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine?
1-(5-bromofuran-2-yl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine has a molecular weight of 332.60 g/mol, XLogP of 4.34, 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-(3-chloro-4-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 103042976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).