2-(3,4-difluorophenyl)-N-methyl-1-(5-methylthiophen-3-yl)ethanamine

C14H15F2NS — CID 104991463

IUPAC2-(3,4-difluorophenyl)-N-methyl-1-(5-methylthiophen-3-yl)ethanamine
SMILESCNC(Cc1ccc(F)c(F)c1)c1csc(C)c1
InChIInChI=1S/C14H15F2NS/c1-9-5-11(8-18-9)14(17-2)7-10-3-4-12(15)13(16)6-10/h3-6,8,14,17H,7H2,1-2H3
InChIKeyHEGQCAWSKQTAMI-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.84
Rot. Bonds4

About 2-(3,4-difluorophenyl)-N-methyl-1-(5-methylthiophen-3-yl)ethanamine

2-(3,4-difluorophenyl)-N-methyl-1-(5-methylthiophen-3-yl)ethanamine (PubChem CID 104991463) has the molecular formula C14H15F2NS and a molecular weight of 267.34 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-methyl-1-(5-methylthiophen-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-methyl-1-(5-methylthiophen-3-yl)ethanamine
PubChem CID104991463
Molecular FormulaC14H15F2NS
Molecular Weight267.34 g/mol
Exact Mass267.09
IUPAC Name2-(3,4-difluorophenyl)-N-methyl-1-(5-methylthiophen-3-yl)ethanamine
SMILESCNC(Cc1ccc(F)c(F)c1)c1csc(C)c1
InChIInChI=1S/C14H15F2NS/c1-9-5-11(8-18-9)14(17-2)7-10-3-4-12(15)13(16)6-10/h3-6,8,14,17H,7H2,1-2H3
InChIKeyHEGQCAWSKQTAMI-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-(4-methylphenyl)-1-(5-methylthiophen-3-yl)ethanamine
CID 65104510
1-(3-chloro-4-methylthiophen-2-yl)-2-(3,4-difluorophenyl)-N-methylethanamine
CID 103402443
N-methyl-1-(5-methylthiophen-3-yl)-2-pyridin-3-ylethanamine
CID 65104741
2-(3,4-difluorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105175945
1-(3,4-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 62602257
2-(3,4-difluorophenyl)-N-methyl-1-(1,3-thiazol-5-yl)ethanamine
CID 82923273
1-(4-bromo-5-methylthiophen-2-yl)-2-(3,4-difluorophenyl)-N-methylethanamine
CID 102827313
1-(2-chloro-4,5-difluorophenyl)-2-(3,4-difluorophenyl)-N-methylethanamine
CID 107476269
2-(2-bromophenyl)-N-methyl-1-(5-methylthiophen-3-yl)ethanamine
CID 65105091
2-(3,4-difluorophenyl)-1-(3-ethoxyphenyl)-N-methylethanamine
CID 82916536
2-(3-chloro-4-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 103039760
1-(3,4-difluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 62802846

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-methyl-1-(5-methylthiophen-3-yl)ethanamine?
The IUPAC name of 2-(3,4-difluorophenyl)-N-methyl-1-(5-methylthiophen-3-yl)ethanamine (CID 104991463) is 2-(3,4-difluorophenyl)-N-methyl-1-(5-methylthiophen-3-yl)ethanamine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-methyl-1-(5-methylthiophen-3-yl)ethanamine?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-methyl-1-(5-methylthiophen-3-yl)ethanamine is CNC(Cc1ccc(F)c(F)c1)c1csc(C)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-methyl-1-(5-methylthiophen-3-yl)ethanamine?
The InChIKey is HEGQCAWSKQTAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NS/c1-9-5-11(8-18-9)14(17-2)7-10-3-4-12(15)13(16)6-10/h3-6,8,14,17H,7H2,1-2H3.
What are the key properties of 2-(3,4-difluorophenyl)-N-methyl-1-(5-methylthiophen-3-yl)ethanamine?
2-(3,4-difluorophenyl)-N-methyl-1-(5-methylthiophen-3-yl)ethanamine has a molecular weight of 267.34 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-methyl-1-(5-methylthiophen-3-yl)ethanamine is sourced from PubChem (CID 104991463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).