2-(4-bromothiophen-2-yl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine

C14H14BrF2NS — CID 115847577

IUPAC2-(4-bromothiophen-2-yl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(Br)cs1)c1cc(C)c(F)cc1F
InChIInChI=1S/C14H14BrF2NS/c1-8-3-11(13(17)6-12(8)16)14(18-2)5-10-4-9(15)7-19-10/h3-4,6-7,14,18H,5H2,1-2H3
InChIKeyCKGGZQGNSSDBBA-UHFFFAOYSA-N
MW346.24 g/mol
LogP4.60
Rot. Bonds4

About 2-(4-bromothiophen-2-yl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine

2-(4-bromothiophen-2-yl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine (PubChem CID 115847577) has the molecular formula C14H14BrF2NS and a molecular weight of 346.24 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine
PubChem CID115847577
Molecular FormulaC14H14BrF2NS
Molecular Weight346.24 g/mol
Exact Mass345.00
IUPAC Name2-(4-bromothiophen-2-yl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(Br)cs1)c1cc(C)c(F)cc1F
InChIInChI=1S/C14H14BrF2NS/c1-8-3-11(13(17)6-12(8)16)14(18-2)5-10-4-9(15)7-19-10/h3-4,6-7,14,18H,5H2,1-2H3
InChIKeyCKGGZQGNSSDBBA-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-(4-bromothiophen-2-yl)-1-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 81278511
2-(5-bromo-2-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine
CID 115839081
2-(4-bromothiophen-2-yl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 114019256
2-(4-bromothiophen-2-yl)-1-(2,5-dibromophenyl)-N-methylethanamine
CID 115848058
2-(4-bromo-2-chlorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine
CID 105037680
1-(2,4-difluoro-5-methylphenyl)-2-(furan-2-yl)-N-methylethanamine
CID 105029138
2-(4-bromothiophen-2-yl)-N-ethyl-1-(4-fluoro-3-methylphenyl)ethanamine
CID 55186994
2-(5-chloro-2-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine
CID 103053283
2-(4-bromothiophen-2-yl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
CID 105139329
2-(4-bromothiophen-2-yl)-1-[2-(difluoromethoxy)phenyl]-N-methylethanamine
CID 115847852
1-(2,4-difluoro-5-methylphenyl)-N,4-dimethylpentan-1-amine
CID 79723951
1-(2,4-difluoro-5-methylphenyl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 79723863

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine?
The IUPAC name of 2-(4-bromothiophen-2-yl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine (CID 115847577) is 2-(4-bromothiophen-2-yl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine is CNC(Cc1cc(Br)cs1)c1cc(C)c(F)cc1F.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine?
The InChIKey is CKGGZQGNSSDBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrF2NS/c1-8-3-11(13(17)6-12(8)16)14(18-2)5-10-4-9(15)7-19-10/h3-4,6-7,14,18H,5H2,1-2H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine?
2-(4-bromothiophen-2-yl)-1-(2,4-difluoro-5-methylphenyl)-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 2-(4-bromothiophen-2-yl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 115847577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).