N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-2-thiophen-3-ylethanamine

C16H18F3NS — CID 102757512

IUPACN-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-2-thiophen-3-ylethanamine
SMILESCCNC(Cc1ccsc1)c1ccc(C(F)(F)F)cc1C
InChIInChI=1S/C16H18F3NS/c1-3-20-15(9-12-6-7-21-10-12)14-5-4-13(8-11(14)2)16(17,18)19/h4-8,10,15,20H,3,9H2,1-2H3
InChIKeyACHRPFWKLBUNHF-UHFFFAOYSA-N
MW313.39 g/mol
LogP4.97
Rot. Bonds5

About N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-2-thiophen-3-ylethanamine

N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-2-thiophen-3-ylethanamine (PubChem CID 102757512) has the molecular formula C16H18F3NS and a molecular weight of 313.39 g/mol. Its IUPAC name is N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-2-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-2-thiophen-3-ylethanamine
PubChem CID102757512
Molecular FormulaC16H18F3NS
Molecular Weight313.39 g/mol
Exact Mass313.11
IUPAC NameN-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-2-thiophen-3-ylethanamine
SMILESCCNC(Cc1ccsc1)c1ccc(C(F)(F)F)cc1C
InChIInChI=1S/C16H18F3NS/c1-3-20-15(9-12-6-7-21-10-12)14-5-4-13(8-11(14)2)16(17,18)19/h4-8,10,15,20H,3,9H2,1-2H3
InChIKeyACHRPFWKLBUNHF-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-thiophen-3-yl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 61078735
N-[1-(4-fluoro-2-methylphenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 81276214
1-(5-chloro-2-fluorophenyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 61078384
N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]hexan-1-amine
CID 102758491
1-(2,4-dimethylphenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 115857169
N-ethyl-1-(5-methylfuran-3-yl)-2-thiophen-3-ylethanamine
CID 114821235
N-ethyl-3-methoxy-1-[2-methyl-4-(trifluoromethyl)phenyl]butan-1-amine
CID 102755108
N-ethyl-1-(2-iodophenyl)-2-thiophen-3-ylethanamine
CID 61078733
2-cyclopentyl-N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 102758480
1-(3-chloro-4-methylphenyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 55162373
1-(3,5-dimethoxyphenyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 61078732
1-(2-bromo-5-chlorophenyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 114027019

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-2-thiophen-3-ylethanamine?
The IUPAC name of N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-2-thiophen-3-ylethanamine (CID 102757512) is N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-2-thiophen-3-ylethanamine.
What is the SMILES notation for N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-2-thiophen-3-ylethanamine?
The canonical SMILES for N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-2-thiophen-3-ylethanamine is CCNC(Cc1ccsc1)c1ccc(C(F)(F)F)cc1C.
What is the InChIKey of N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-2-thiophen-3-ylethanamine?
The InChIKey is ACHRPFWKLBUNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3NS/c1-3-20-15(9-12-6-7-21-10-12)14-5-4-13(8-11(14)2)16(17,18)19/h4-8,10,15,20H,3,9H2,1-2H3.
What are the key properties of N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-2-thiophen-3-ylethanamine?
N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-2-thiophen-3-ylethanamine has a molecular weight of 313.39 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-2-thiophen-3-ylethanamine is sourced from PubChem (CID 102757512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).