N-ethyl-3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-amine

C16H18F3NS — CID 115860753

IUPACN-ethyl-3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
SMILESCCNC(CCc1cccs1)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H18F3NS/c1-2-20-15(10-9-12-6-5-11-21-12)13-7-3-4-8-14(13)16(17,18)19/h3-8,11,15,20H,2,9-10H2,1H3
InChIKeyDOKDQBUOYNIVBZ-UHFFFAOYSA-N
MW313.39 g/mol
LogP5.05
Rot. Bonds6

About N-ethyl-3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-amine

N-ethyl-3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-amine (PubChem CID 115860753) has the molecular formula C16H18F3NS and a molecular weight of 313.39 g/mol. Its IUPAC name is N-ethyl-3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
PubChem CID115860753
Molecular FormulaC16H18F3NS
Molecular Weight313.39 g/mol
Exact Mass313.11
IUPAC NameN-ethyl-3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
SMILESCCNC(CCc1cccs1)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H18F3NS/c1-2-20-15(10-9-12-6-5-11-21-12)13-7-3-4-8-14(13)16(17,18)19/h3-8,11,15,20H,2,9-10H2,1H3
InChIKeyDOKDQBUOYNIVBZ-UHFFFAOYSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.39
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine
CID 63776349
N-ethyl-1-(2-fluorophenyl)-4-thiophen-2-ylbutan-1-amine
CID 105119949
N-ethyl-3-methoxy-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 62800996
N-ethyl-2-methoxy-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 55120507
N-ethyl-1-[2-(trifluoromethyl)phenyl]pent-4-en-1-amine
CID 104987286
1-(2-bromo-5-fluorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860919
N-ethyl-4-methoxy-1-[2-(trifluoromethyl)phenyl]pentan-1-amine
CID 105145424
1-(2,5-dichlorothiophen-3-yl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 107968303
1-(2,5-dibromophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115861015
1-(2,4-dichlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860970
N-ethyl-6,6,6-trifluoro-1-thiophen-2-ylhexan-3-amine
CID 79952596
N-ethyl-3-thiophen-2-yl-1-thiophen-3-ylpropan-1-amine
CID 63773695

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-amine?
The IUPAC name of N-ethyl-3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-amine (CID 115860753) is N-ethyl-3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for N-ethyl-3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for N-ethyl-3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-amine is CCNC(CCc1cccs1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-ethyl-3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-amine?
The InChIKey is DOKDQBUOYNIVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3NS/c1-2-20-15(10-9-12-6-5-11-21-12)13-7-3-4-8-14(13)16(17,18)19/h3-8,11,15,20H,2,9-10H2,1H3.
What are the key properties of N-ethyl-3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-amine?
N-ethyl-3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-amine has a molecular weight of 313.39 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 115860753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).