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

C14H15ClFNS — CID 112749530

IUPAC2-(3-chlorothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1sccc1Cl)c1ccc(F)c(C)c1
InChIInChI=1S/C14H15ClFNS/c1-9-7-10(3-4-12(9)16)13(17-2)8-14-11(15)5-6-18-14/h3-7,13,17H,8H2,1-2H3
InChIKeyXUEYJROLVYUERW-UHFFFAOYSA-N
MW283.80 g/mol
LogP4.35
Rot. Bonds4

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

2-(3-chlorothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine (PubChem CID 112749530) has the molecular formula C14H15ClFNS and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-(3-chlorothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-chlorothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
PubChem CID112749530
Molecular FormulaC14H15ClFNS
Molecular Weight283.80 g/mol
Exact Mass283.06
IUPAC Name2-(3-chlorothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1sccc1Cl)c1ccc(F)c(C)c1
InChIInChI=1S/C14H15ClFNS/c1-9-7-10(3-4-12(9)16)13(17-2)8-14-11(15)5-6-18-14/h3-7,13,17H,8H2,1-2H3
InChIKeyXUEYJROLVYUERW-UHFFFAOYSA-N
XLogP4.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichlorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 63412888
2-(4-chloro-3-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 107884560
2-(3-bromothiophen-2-yl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine
CID 107992805
2-(4-chloro-2-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 114855348
2-(3-bromothiophen-2-yl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
CID 62601801
1-(4-fluoro-3-methylphenyl)-N-methylpropan-1-amine
CID 60929376
2-(4-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 105143051
1-(4-chloro-3-fluorophenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 107994603
2-(4-chloro-3-fluorophenyl)-1-(4-chloro-3-methylphenyl)-N-methylethanamine
CID 107892575
N-[(3-chlorothiophen-2-yl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 80529223
(3-chlorothiophen-2-yl)-(4-fluoro-3-methylphenyl)methanamine
CID 80529677
1-(4-fluoro-3-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine
CID 115333502

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine?
The IUPAC name of 2-(3-chlorothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine (CID 112749530) is 2-(3-chlorothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-chlorothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(3-chlorothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine is CNC(Cc1sccc1Cl)c1ccc(F)c(C)c1.
What is the InChIKey of 2-(3-chlorothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine?
The InChIKey is XUEYJROLVYUERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNS/c1-9-7-10(3-4-12(9)16)13(17-2)8-14-11(15)5-6-18-14/h3-7,13,17H,8H2,1-2H3.
What are the key properties of 2-(3-chlorothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine?
2-(3-chlorothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine has a molecular weight of 283.80 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 112749530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).