1-(4-chloro-3-fluorophenyl)-N-methyl-2-thiophen-3-ylethanamine

C13H13ClFNS — CID 114024608

IUPAC1-(4-chloro-3-fluorophenyl)-N-methyl-2-thiophen-3-ylethanamine
SMILESCNC(Cc1ccsc1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C13H13ClFNS/c1-16-13(6-9-4-5-17-8-9)10-2-3-11(14)12(15)7-10/h2-5,7-8,13,16H,6H2,1H3
InChIKeyOYHBIBATDNOQLX-UHFFFAOYSA-N
MW269.77 g/mol
LogP4.04
Rot. Bonds4

About 1-(4-chloro-3-fluorophenyl)-N-methyl-2-thiophen-3-ylethanamine

1-(4-chloro-3-fluorophenyl)-N-methyl-2-thiophen-3-ylethanamine (PubChem CID 114024608) has the molecular formula C13H13ClFNS and a molecular weight of 269.77 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-N-methyl-2-thiophen-3-ylethanamine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-N-methyl-2-thiophen-3-ylethanamine
PubChem CID114024608
Molecular FormulaC13H13ClFNS
Molecular Weight269.77 g/mol
Exact Mass269.04
IUPAC Name1-(4-chloro-3-fluorophenyl)-N-methyl-2-thiophen-3-ylethanamine
SMILESCNC(Cc1ccsc1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C13H13ClFNS/c1-16-13(6-9-4-5-17-8-9)10-2-3-11(14)12(15)7-10/h2-5,7-8,13,16H,6H2,1H3
InChIKeyOYHBIBATDNOQLX-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 61078368
1-(3-bromo-4-fluorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 82808675
1-(4-chloro-3-fluorophenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 107993415
1-(4-chloro-3-fluorophenyl)-N-(thiophen-3-ylmethyl)ethanamine
CID 82889413
2-(4-chloro-3-fluorophenyl)-1-(4-chloro-3-methylphenyl)-N-methylethanamine
CID 107892575
2-(3-bromo-5-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine
CID 107994476
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
1-(4-chloro-3-fluorophenyl)-N-methylethane-1,2-diamine
CID 62066014
1-(5-bromo-2-chlorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 61077843
[1-(4-chloro-3-methylphenyl)-2-thiophen-3-ylethyl]hydrazine
CID 105297731
1-(4-chloro-3-fluorophenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 107994603

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-methyl-2-thiophen-3-ylethanamine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-methyl-2-thiophen-3-ylethanamine (CID 114024608) is 1-(4-chloro-3-fluorophenyl)-N-methyl-2-thiophen-3-ylethanamine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-N-methyl-2-thiophen-3-ylethanamine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-N-methyl-2-thiophen-3-ylethanamine is CNC(Cc1ccsc1)c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-N-methyl-2-thiophen-3-ylethanamine?
The InChIKey is OYHBIBATDNOQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFNS/c1-16-13(6-9-4-5-17-8-9)10-2-3-11(14)12(15)7-10/h2-5,7-8,13,16H,6H2,1H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-N-methyl-2-thiophen-3-ylethanamine?
1-(4-chloro-3-fluorophenyl)-N-methyl-2-thiophen-3-ylethanamine has a molecular weight of 269.77 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-N-methyl-2-thiophen-3-ylethanamine is sourced from PubChem (CID 114024608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).