N-[(3-chlorothiophen-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine

C14H13ClF3NOS — CID 115854136

IUPACN-[(3-chlorothiophen-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine
SMILESCCNC(c1cccc(OC(F)(F)F)c1)c1sccc1Cl
InChIInChI=1S/C14H13ClF3NOS/c1-2-19-12(13-11(15)6-7-21-13)9-4-3-5-10(8-9)20-14(16,17)18/h3-8,12,19H,2H2,1H3
InChIKeyOMFLEPYAXAZSLZ-UHFFFAOYSA-N
MW335.78 g/mol
LogP5.00
Rot. Bonds5

About N-[(3-chlorothiophen-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine

N-[(3-chlorothiophen-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine (PubChem CID 115854136) has the molecular formula C14H13ClF3NOS and a molecular weight of 335.78 g/mol. Its IUPAC name is N-[(3-chlorothiophen-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chlorothiophen-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine
PubChem CID115854136
Molecular FormulaC14H13ClF3NOS
Molecular Weight335.78 g/mol
Exact Mass335.04
IUPAC NameN-[(3-chlorothiophen-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine
SMILESCCNC(c1cccc(OC(F)(F)F)c1)c1sccc1Cl
InChIInChI=1S/C14H13ClF3NOS/c1-2-19-12(13-11(15)6-7-21-13)9-4-3-5-10(8-9)20-14(16,17)18/h3-8,12,19H,2H2,1H3
InChIKeyOMFLEPYAXAZSLZ-UHFFFAOYSA-N
XLogP5.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.78
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorothiophen-2-yl)-[3-(difluoromethoxy)phenyl]methyl]ethanamine
CID 80528916
N-[(3-chlorothiophen-2-yl)-(3-methoxyphenyl)methyl]ethanamine
CID 80529194
N-[(4-methylthiadiazol-5-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 105145860
N-[(3-chlorothiophen-2-yl)-(3-propylphenyl)methyl]ethanamine
CID 105050526
N-[(3-chlorothiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine
CID 80528896
N-[(3-chlorothiophen-2-yl)-(3,4-difluorophenyl)methyl]ethanamine
CID 80529029
N-[(3-chlorothiophen-2-yl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 80529223
N-[(3-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 55007060
N-[(5-bromofuran-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 115854117
N-[thiophen-3-yl-[3-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 62916199
N-[(3-ethoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 79989146
N-[pyrazin-2-yl-[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 62917910

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorothiophen-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[(3-chlorothiophen-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine (CID 115854136) is N-[(3-chlorothiophen-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[(3-chlorothiophen-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[(3-chlorothiophen-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine is CCNC(c1cccc(OC(F)(F)F)c1)c1sccc1Cl.
What is the InChIKey of N-[(3-chlorothiophen-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine?
The InChIKey is OMFLEPYAXAZSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF3NOS/c1-2-19-12(13-11(15)6-7-21-13)9-4-3-5-10(8-9)20-14(16,17)18/h3-8,12,19H,2H2,1H3.
What are the key properties of N-[(3-chlorothiophen-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine?
N-[(3-chlorothiophen-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine has a molecular weight of 335.78 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorothiophen-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 115854136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).