1-(4-bromo-5-methylthiophen-2-yl)-2-(3,4-difluorophenyl)-N-methylethanamine

C14H14BrF2NS — CID 102827313

IUPAC1-(4-bromo-5-methylthiophen-2-yl)-2-(3,4-difluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)c(F)c1)c1cc(Br)c(C)s1
InChIInChI=1S/C14H14BrF2NS/c1-8-10(15)7-14(19-8)13(18-2)6-9-3-4-11(16)12(17)5-9/h3-5,7,13,18H,6H2,1-2H3
InChIKeyLMTXSNGLNRYFNJ-UHFFFAOYSA-N
MW346.24 g/mol
LogP4.60
Rot. Bonds4

About 1-(4-bromo-5-methylthiophen-2-yl)-2-(3,4-difluorophenyl)-N-methylethanamine

1-(4-bromo-5-methylthiophen-2-yl)-2-(3,4-difluorophenyl)-N-methylethanamine (PubChem CID 102827313) has the molecular formula C14H14BrF2NS and a molecular weight of 346.24 g/mol. Its IUPAC name is 1-(4-bromo-5-methylthiophen-2-yl)-2-(3,4-difluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-bromo-5-methylthiophen-2-yl)-2-(3,4-difluorophenyl)-N-methylethanamine
PubChem CID102827313
Molecular FormulaC14H14BrF2NS
Molecular Weight346.24 g/mol
Exact Mass345.00
IUPAC Name1-(4-bromo-5-methylthiophen-2-yl)-2-(3,4-difluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)c(F)c1)c1cc(Br)c(C)s1
InChIInChI=1S/C14H14BrF2NS/c1-8-10(15)7-14(19-8)13(18-2)6-9-3-4-11(16)12(17)5-9/h3-5,7,13,18H,6H2,1-2H3
InChIKeyLMTXSNGLNRYFNJ-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.24
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-fluorophenyl)-1-(4,5-dibromothiophen-2-yl)-N-methylethanamine
CID 115818809
1-(4,5-dibromothiophen-2-yl)-2-(4-fluorophenyl)-N-methylethanamine
CID 80532976
1-(3-bromo-2,6-difluorophenyl)-2-(3,4-difluorophenyl)-N-methylethanamine
CID 106944913
2-(3-bromo-4-fluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 115818614
2-(3,4-difluorophenyl)-N-methyl-1-(1,3-thiazol-5-yl)ethanamine
CID 82923273
1-(2-bromofuran-3-yl)-2-(3,4-difluorophenyl)-N-methylethanamine
CID 106854729
2-(3,4-difluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylethanamine
CID 81266733
2-(3,4-difluorophenyl)-N-methyl-1-(5-methylthiophen-3-yl)ethanamine
CID 104991463
1-(3-chloro-4-methylthiophen-2-yl)-2-(3,4-difluorophenyl)-N-methylethanamine
CID 103402443
1-(4-bromo-5-methylthiophen-2-yl)-N,3,3-trimethylbutan-1-amine
CID 102827298
N-[2-(3-bromo-4-fluorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethyl]propan-1-amine
CID 115818291
2-(3-bromo-4-fluorophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine
CID 115818417

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-2-(3,4-difluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-2-(3,4-difluorophenyl)-N-methylethanamine (CID 102827313) is 1-(4-bromo-5-methylthiophen-2-yl)-2-(3,4-difluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(4-bromo-5-methylthiophen-2-yl)-2-(3,4-difluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(4-bromo-5-methylthiophen-2-yl)-2-(3,4-difluorophenyl)-N-methylethanamine is CNC(Cc1ccc(F)c(F)c1)c1cc(Br)c(C)s1.
What is the InChIKey of 1-(4-bromo-5-methylthiophen-2-yl)-2-(3,4-difluorophenyl)-N-methylethanamine?
The InChIKey is LMTXSNGLNRYFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrF2NS/c1-8-10(15)7-14(19-8)13(18-2)6-9-3-4-11(16)12(17)5-9/h3-5,7,13,18H,6H2,1-2H3.
What are the key properties of 1-(4-bromo-5-methylthiophen-2-yl)-2-(3,4-difluorophenyl)-N-methylethanamine?
1-(4-bromo-5-methylthiophen-2-yl)-2-(3,4-difluorophenyl)-N-methylethanamine has a molecular weight of 346.24 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-methylthiophen-2-yl)-2-(3,4-difluorophenyl)-N-methylethanamine is sourced from PubChem (CID 102827313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).