N-methyl-1-thiophen-3-yl-2-[4-(trifluoromethoxy)phenyl]ethanamine

C14H14F3NOS — CID 62601116

IUPACN-methyl-1-thiophen-3-yl-2-[4-(trifluoromethoxy)phenyl]ethanamine
SMILESCNC(Cc1ccc(OC(F)(F)F)cc1)c1ccsc1
InChIInChI=1S/C14H14F3NOS/c1-18-13(11-6-7-20-9-11)8-10-2-4-12(5-3-10)19-14(15,16)17/h2-7,9,13,18H,8H2,1H3
InChIKeyLMRADVQVQXWBKK-UHFFFAOYSA-N
MW301.33 g/mol
LogP4.15
Rot. Bonds5

About N-methyl-1-thiophen-3-yl-2-[4-(trifluoromethoxy)phenyl]ethanamine

N-methyl-1-thiophen-3-yl-2-[4-(trifluoromethoxy)phenyl]ethanamine (PubChem CID 62601116) has the molecular formula C14H14F3NOS and a molecular weight of 301.33 g/mol. Its IUPAC name is N-methyl-1-thiophen-3-yl-2-[4-(trifluoromethoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-thiophen-3-yl-2-[4-(trifluoromethoxy)phenyl]ethanamine
PubChem CID62601116
Molecular FormulaC14H14F3NOS
Molecular Weight301.33 g/mol
Exact Mass301.07
IUPAC NameN-methyl-1-thiophen-3-yl-2-[4-(trifluoromethoxy)phenyl]ethanamine
SMILESCNC(Cc1ccc(OC(F)(F)F)cc1)c1ccsc1
InChIInChI=1S/C14H14F3NOS/c1-18-13(11-6-7-20-9-11)8-10-2-4-12(5-3-10)19-14(15,16)17/h2-7,9,13,18H,8H2,1H3
InChIKeyLMRADVQVQXWBKK-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-thiophen-3-yl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 62114391
1-(5-iodothiophen-3-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]ethanamine
CID 115843418
1-(3-chlorothiophen-2-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]ethanamine
CID 115843408
N-(1-thiophen-3-ylethyl)-4-(trifluoromethoxy)aniline
CID 55032953
(1R)-N-methyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 141191403
5,5,5-trifluoro-N-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-amine
CID 79954567
N,3,3-trimethyl-1-thiophen-3-ylbutan-1-amine
CID 65105045
2-(2-fluorophenyl)-N-methyl-1-thiophen-3-ylethanamine
CID 60820385
3-methoxy-N-methyl-1-[4-(trifluoromethoxy)phenyl]butan-2-amine
CID 79616456
[1-(3-methylthiophen-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105296937
[2-(4-fluorophenyl)-1-thiophen-3-ylethyl]hydrazine
CID 105196708
N-(2-hydroxy-2-thiophen-3-ylethyl)-4-(trifluoromethoxy)benzamide
CID 111441258

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-thiophen-3-yl-2-[4-(trifluoromethoxy)phenyl]ethanamine?
The IUPAC name of N-methyl-1-thiophen-3-yl-2-[4-(trifluoromethoxy)phenyl]ethanamine (CID 62601116) is N-methyl-1-thiophen-3-yl-2-[4-(trifluoromethoxy)phenyl]ethanamine.
What is the SMILES notation for N-methyl-1-thiophen-3-yl-2-[4-(trifluoromethoxy)phenyl]ethanamine?
The canonical SMILES for N-methyl-1-thiophen-3-yl-2-[4-(trifluoromethoxy)phenyl]ethanamine is CNC(Cc1ccc(OC(F)(F)F)cc1)c1ccsc1.
What is the InChIKey of N-methyl-1-thiophen-3-yl-2-[4-(trifluoromethoxy)phenyl]ethanamine?
The InChIKey is LMRADVQVQXWBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NOS/c1-18-13(11-6-7-20-9-11)8-10-2-4-12(5-3-10)19-14(15,16)17/h2-7,9,13,18H,8H2,1H3.
What are the key properties of N-methyl-1-thiophen-3-yl-2-[4-(trifluoromethoxy)phenyl]ethanamine?
N-methyl-1-thiophen-3-yl-2-[4-(trifluoromethoxy)phenyl]ethanamine has a molecular weight of 301.33 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-thiophen-3-yl-2-[4-(trifluoromethoxy)phenyl]ethanamine is sourced from PubChem (CID 62601116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).