N-ethyl-1-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]propan-2-amine

C16H18F3NS — CID 62604911

IUPACN-ethyl-1-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]propan-2-amine
SMILESCCNC(Cc1ccc(C(F)(F)F)cc1)Cc1cccs1
InChIInChI=1S/C16H18F3NS/c1-2-20-14(11-15-4-3-9-21-15)10-12-5-7-13(8-6-12)16(17,18)19/h3-9,14,20H,2,10-11H2,1H3
InChIKeyLWOSMGUVACLKOY-UHFFFAOYSA-N
MW313.39 g/mol
LogP4.53
Rot. Bonds6

About N-ethyl-1-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]propan-2-amine

N-ethyl-1-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]propan-2-amine (PubChem CID 62604911) has the molecular formula C16H18F3NS and a molecular weight of 313.39 g/mol. Its IUPAC name is N-ethyl-1-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]propan-2-amine
PubChem CID62604911
Molecular FormulaC16H18F3NS
Molecular Weight313.39 g/mol
Exact Mass313.11
IUPAC NameN-ethyl-1-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]propan-2-amine
SMILESCCNC(Cc1ccc(C(F)(F)F)cc1)Cc1cccs1
InChIInChI=1S/C16H18F3NS/c1-2-20-14(11-15-4-3-9-21-15)10-12-5-7-13(8-6-12)16(17,18)19/h3-9,14,20H,2,10-11H2,1H3
InChIKeyLWOSMGUVACLKOY-UHFFFAOYSA-N
XLogP4.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-5-methyl-1-thiophen-2-ylhexan-2-amine
CID 61065868
N-ethyl-5,5,5-trifluoro-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
CID 79954040
N,4-diethyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine
CID 105028045
1-(4-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 62502526
1-tert-butylsulfanyl-N-ethyl-3-thiophen-2-ylpropan-2-amine
CID 65132452
N-ethyl-1,1-difluoro-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 103516579
1-(4-chlorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine
CID 63774235
1-(4-methoxyphenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 62602722
N-ethyl-1-propan-2-yloxy-3-thiophen-2-ylpropan-2-amine
CID 79574610
N-ethyl-1-propylsulfanyl-3-thiophen-2-ylpropan-2-amine
CID 65129208
N-ethyl-6,6,6-trifluoro-1-thiophen-2-ylhexan-3-amine
CID 79952596
N-methyl-2-thiophen-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 105134087

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]propan-2-amine?
The IUPAC name of N-ethyl-1-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]propan-2-amine (CID 62604911) is N-ethyl-1-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]propan-2-amine.
What is the SMILES notation for N-ethyl-1-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]propan-2-amine?
The canonical SMILES for N-ethyl-1-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]propan-2-amine is CCNC(Cc1ccc(C(F)(F)F)cc1)Cc1cccs1.
What is the InChIKey of N-ethyl-1-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]propan-2-amine?
The InChIKey is LWOSMGUVACLKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3NS/c1-2-20-14(11-15-4-3-9-21-15)10-12-5-7-13(8-6-12)16(17,18)19/h3-9,14,20H,2,10-11H2,1H3.
What are the key properties of N-ethyl-1-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]propan-2-amine?
N-ethyl-1-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]propan-2-amine has a molecular weight of 313.39 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]propan-2-amine is sourced from PubChem (CID 62604911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).