2-(5-bromothiophen-2-yl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine

C14H15BrFNS — CID 55095213

IUPAC2-(5-bromothiophen-2-yl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)s1)c1ccc(C)c(F)c1
InChIInChI=1S/C14H15BrFNS/c1-9-3-4-10(7-12(9)16)13(17-2)8-11-5-6-14(15)18-11/h3-7,13,17H,8H2,1-2H3
InChIKeyCVHLPOHPZUOSGZ-UHFFFAOYSA-N
MW328.25 g/mol
LogP4.46
Rot. Bonds4

About 2-(5-bromothiophen-2-yl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine

2-(5-bromothiophen-2-yl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine (PubChem CID 55095213) has the molecular formula C14H15BrFNS and a molecular weight of 328.25 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
PubChem CID55095213
Molecular FormulaC14H15BrFNS
Molecular Weight328.25 g/mol
Exact Mass327.01
IUPAC Name2-(5-bromothiophen-2-yl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)s1)c1ccc(C)c(F)c1
InChIInChI=1S/C14H15BrFNS/c1-9-3-4-10(7-12(9)16)13(17-2)8-11-5-6-14(15)18-11/h3-7,13,17H,8H2,1-2H3
InChIKeyCVHLPOHPZUOSGZ-UHFFFAOYSA-N
XLogP4.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromothiophen-2-yl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine
CID 115841037
2-(5-bromothiophen-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylethanamine
CID 115841034
[2-(5-bromothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)ethyl]hydrazine
CID 105203973
2-(3-bromothiophen-2-yl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
CID 62601801
2-(5-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
CID 103048488
2-(5-bromothiophen-2-yl)-N-methyl-1-pyridin-4-ylethanamine
CID 62601106
1-(3-fluoro-4-methylphenyl)-N-methyl-2-phenylethanamine
CID 60820090
1-(2-bromo-6-fluorophenyl)-2-(5-bromothiophen-2-yl)-N-methylethanamine
CID 114887025
2-(5-bromothiophen-2-yl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine
CID 115841239
2-(5-bromothiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
CID 115841218
1-(3-fluoro-4-methylphenyl)-N-methylbutan-1-amine
CID 60819926
1-(3-fluoro-4-methylphenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 60818353

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine (CID 55095213) is 2-(5-bromothiophen-2-yl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine is CNC(Cc1ccc(Br)s1)c1ccc(C)c(F)c1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine?
The InChIKey is CVHLPOHPZUOSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNS/c1-9-3-4-10(7-12(9)16)13(17-2)8-11-5-6-14(15)18-11/h3-7,13,17H,8H2,1-2H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine?
2-(5-bromothiophen-2-yl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine has a molecular weight of 328.25 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 55095213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).