1-(3-bromothiophen-2-yl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine

C13H12BrClFNS — CID 105032294

IUPAC1-(3-bromothiophen-2-yl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(F)c1Cl)c1sccc1Br
InChIInChI=1S/C13H12BrClFNS/c1-17-11(13-9(14)5-6-18-13)7-8-3-2-4-10(16)12(8)15/h2-6,11,17H,7H2,1H3
InChIKeyOLDUEUYJXWJGCM-UHFFFAOYSA-N
MW348.67 g/mol
LogP4.81
Rot. Bonds4

About 1-(3-bromothiophen-2-yl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine

1-(3-bromothiophen-2-yl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine (PubChem CID 105032294) has the molecular formula C13H12BrClFNS and a molecular weight of 348.67 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
PubChem CID105032294
Molecular FormulaC13H12BrClFNS
Molecular Weight348.67 g/mol
Exact Mass346.95
IUPAC Name1-(3-bromothiophen-2-yl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(F)c1Cl)c1sccc1Br
InChIInChI=1S/C13H12BrClFNS/c1-17-11(13-9(14)5-6-18-13)7-8-3-2-4-10(16)12(8)15/h2-6,11,17H,7H2,1H3
InChIKeyOLDUEUYJXWJGCM-UHFFFAOYSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.67
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-bis(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032290
1-(2-bromo-3-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032328
1-(2-bromo-5-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032368
[2-(2-chloro-3-fluorophenyl)-1-(3-chlorothiophen-2-yl)ethyl]hydrazine
CID 105332778
1-(3-bromothiophen-2-yl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 55239918
2-(2-chloro-3-fluorophenyl)-N-methyl-1-phenylethanamine
CID 112653601
1-(2-bromo-4-methylphenyl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032435
1-(2-bromo-3-methylphenyl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 107985356
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 114894692
N-[2-(2-bromo-3-fluorophenyl)-1-(3-bromothiophen-2-yl)ethyl]propan-1-amine
CID 105020455
2-(2-chloro-3-fluorophenyl)-1-(2-chloro-3-methylphenyl)-N-methylethanamine
CID 105032442
2-(3-bromophenyl)-1-(3-bromothiophen-2-yl)-N-methylethanamine
CID 63797942

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine (CID 105032294) is 1-(3-bromothiophen-2-yl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine is CNC(Cc1cccc(F)c1Cl)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine?
The InChIKey is OLDUEUYJXWJGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClFNS/c1-17-11(13-9(14)5-6-18-13)7-8-3-2-4-10(16)12(8)15/h2-6,11,17H,7H2,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine?
1-(3-bromothiophen-2-yl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine has a molecular weight of 348.67 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 105032294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).