N-[1-(5-methylthiophen-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine

C16H18F3NS — CID 43726981

IUPACN-[1-(5-methylthiophen-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCc1ccc(C(C)NC(C)c2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C16H18F3NS/c1-10-4-9-15(21-10)12(3)20-11(2)13-5-7-14(8-6-13)16(17,18)19/h4-9,11-12,20H,1-3H3
InChIKeyFGGAZNDXPIDCOR-UHFFFAOYSA-N
MW313.39 g/mol
LogP5.49
Rot. Bonds4

About N-[1-(5-methylthiophen-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine

N-[1-(5-methylthiophen-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 43726981) has the molecular formula C16H18F3NS and a molecular weight of 313.39 g/mol. Its IUPAC name is N-[1-(5-methylthiophen-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-[1-(5-methylthiophen-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
PubChem CID43726981
Molecular FormulaC16H18F3NS
Molecular Weight313.39 g/mol
Exact Mass313.11
IUPAC NameN-[1-(5-methylthiophen-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCc1ccc(C(C)NC(C)c2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C16H18F3NS/c1-10-4-9-15(21-10)12(3)20-11(2)13-5-7-14(8-6-13)16(17,18)19/h4-9,11-12,20H,1-3H3
InChIKeyFGGAZNDXPIDCOR-UHFFFAOYSA-N
XLogP5.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.39
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylthiophen-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-[1-(5-methylthiophen-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine (CID 43726981) is N-[1-(5-methylthiophen-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-[1-(5-methylthiophen-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-[1-(5-methylthiophen-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine is Cc1ccc(C(C)NC(C)c2ccc(C(F)(F)F)cc2)s1.
What is the InChIKey of N-[1-(5-methylthiophen-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is FGGAZNDXPIDCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3NS/c1-10-4-9-15(21-10)12(3)20-11(2)13-5-7-14(8-6-13)16(17,18)19/h4-9,11-12,20H,1-3H3.
What are the key properties of N-[1-(5-methylthiophen-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine?
N-[1-(5-methylthiophen-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 313.39 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylthiophen-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 43726981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).