1-(4-bromo-2-fluorophenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine

C12H10BrClFNS — CID 43485412

IUPAC1-(4-bromo-2-fluorophenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)s1)c1ccc(Br)cc1F
InChIInChI=1S/C12H10BrClFNS/c1-16-12(10-4-5-11(14)17-10)8-3-2-7(13)6-9(8)15/h2-6,12,16H,1H3
InChIKeyUCMKFZAOHSYTEO-UHFFFAOYSA-N
MW334.64 g/mol
LogP4.61
Rot. Bonds3

About 1-(4-bromo-2-fluorophenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine

1-(4-bromo-2-fluorophenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine (PubChem CID 43485412) has the molecular formula C12H10BrClFNS and a molecular weight of 334.64 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine
PubChem CID43485412
Molecular FormulaC12H10BrClFNS
Molecular Weight334.64 g/mol
Exact Mass332.94
IUPAC Name1-(4-bromo-2-fluorophenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)s1)c1ccc(Br)cc1F
InChIInChI=1S/C12H10BrClFNS/c1-16-12(10-4-5-11(14)17-10)8-3-2-7(13)6-9(8)15/h2-6,12,16H,1H3
InChIKeyUCMKFZAOHSYTEO-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.64
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine (CID 43485412) is 1-(4-bromo-2-fluorophenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine is CNC(c1ccc(Cl)s1)c1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine?
The InChIKey is UCMKFZAOHSYTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClFNS/c1-16-12(10-4-5-11(14)17-10)8-3-2-7(13)6-9(8)15/h2-6,12,16H,1H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine?
1-(4-bromo-2-fluorophenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine has a molecular weight of 334.64 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 43485412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).