1-(5-bromothiophen-2-yl)-3-(2,6-difluorophenyl)-N-methylpropan-2-amine

C14H14BrF2NS — CID 115840992

IUPAC1-(5-bromothiophen-2-yl)-3-(2,6-difluorophenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1ccc(Br)s1)Cc1c(F)cccc1F
InChIInChI=1S/C14H14BrF2NS/c1-18-9(7-10-5-6-14(15)19-10)8-11-12(16)3-2-4-13(11)17/h2-6,9,18H,7-8H2,1H3
InChIKeySJMGJVCMGZSWOJ-UHFFFAOYSA-N
MW346.24 g/mol
LogP4.16
Rot. Bonds5

About 1-(5-bromothiophen-2-yl)-3-(2,6-difluorophenyl)-N-methylpropan-2-amine

1-(5-bromothiophen-2-yl)-3-(2,6-difluorophenyl)-N-methylpropan-2-amine (PubChem CID 115840992) has the molecular formula C14H14BrF2NS and a molecular weight of 346.24 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-3-(2,6-difluorophenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-3-(2,6-difluorophenyl)-N-methylpropan-2-amine
PubChem CID115840992
Molecular FormulaC14H14BrF2NS
Molecular Weight346.24 g/mol
Exact Mass345.00
IUPAC Name1-(5-bromothiophen-2-yl)-3-(2,6-difluorophenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1ccc(Br)s1)Cc1c(F)cccc1F
InChIInChI=1S/C14H14BrF2NS/c1-18-9(7-10-5-6-14(15)19-10)8-11-12(16)3-2-4-13(11)17/h2-6,9,18H,7-8H2,1H3
InChIKeySJMGJVCMGZSWOJ-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.24
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66053278
1-(2-bromo-6-fluorophenyl)-2-(5-bromothiophen-2-yl)-N-methylethanamine
CID 114887025
1-(4-bromophenyl)-3-(5-bromothiophen-2-yl)-N-methylpropan-2-amine
CID 62602232
1-(5-bromothiophen-2-yl)-N-methylpent-4-en-2-amine
CID 116660483
1-(5-bromothiophen-2-yl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65132170
[1-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)propan-2-yl]hydrazine
CID 105206828
1-(2,4-difluorophenyl)-3-(2,6-difluorophenyl)-N-methylpropan-2-amine
CID 114932067
1-(5-bromothiophen-2-yl)-N-methylpropan-2-amine
CID 62602112
3-(5-bromothiophen-2-yl)-1,1-difluoro-N-methylpropan-2-amine
CID 103516504
[1-(5-bromothiophen-2-yl)-3-(2,6-dichlorophenyl)propan-2-yl]hydrazine
CID 105209681
1-(5-bromothiophen-2-yl)-N-methyl-3-propylsulfanylpropan-2-amine
CID 65128497
N-[2-(5-bromothiophen-2-yl)-1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 79522487

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-3-(2,6-difluorophenyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-3-(2,6-difluorophenyl)-N-methylpropan-2-amine (CID 115840992) is 1-(5-bromothiophen-2-yl)-3-(2,6-difluorophenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-3-(2,6-difluorophenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-3-(2,6-difluorophenyl)-N-methylpropan-2-amine is CNC(Cc1ccc(Br)s1)Cc1c(F)cccc1F.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-3-(2,6-difluorophenyl)-N-methylpropan-2-amine?
The InChIKey is SJMGJVCMGZSWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrF2NS/c1-18-9(7-10-5-6-14(15)19-10)8-11-12(16)3-2-4-13(11)17/h2-6,9,18H,7-8H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-3-(2,6-difluorophenyl)-N-methylpropan-2-amine?
1-(5-bromothiophen-2-yl)-3-(2,6-difluorophenyl)-N-methylpropan-2-amine has a molecular weight of 346.24 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-3-(2,6-difluorophenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 115840992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).