1-(3-methylthiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine

C11H16F3NOS — CID 63993286

IUPAC1-(3-methylthiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
SMILESCc1ccsc1C(C)NCCOCC(F)(F)F
InChIInChI=1S/C11H16F3NOS/c1-8-3-6-17-10(8)9(2)15-4-5-16-7-11(12,13)14/h3,6,9,15H,4-5,7H2,1-2H3
InChIKeyGLJFTKUWIWPBMA-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.29
Rot. Bonds6

About 1-(3-methylthiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine

1-(3-methylthiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine (PubChem CID 63993286) has the molecular formula C11H16F3NOS and a molecular weight of 267.32 g/mol. Its IUPAC name is 1-(3-methylthiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine.

Molecular Properties

Compound Name1-(3-methylthiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
PubChem CID63993286
Molecular FormulaC11H16F3NOS
Molecular Weight267.32 g/mol
Exact Mass267.09
IUPAC Name1-(3-methylthiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
SMILESCc1ccsc1C(C)NCCOCC(F)(F)F
InChIInChI=1S/C11H16F3NOS/c1-8-3-6-17-10(8)9(2)15-4-5-16-7-11(12,13)14/h3,6,9,15H,4-5,7H2,1-2H3
InChIKeyGLJFTKUWIWPBMA-UHFFFAOYSA-N
XLogP3.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1R)-N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 95310705
1-(5-methylthiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 55151709
4-methoxy-N-[1-(3-methylthiophen-2-yl)ethyl]butan-1-amine
CID 63992497
4-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]butan-1-amine
CID 95310819
5-methoxy-N-[1-(3-methylthiophen-2-yl)ethyl]pentan-1-amine
CID 115714840
N'-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 63992889
N-(2-methylsulfanylethyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 63993484
4-[1-(3-methylthiophen-2-yl)ethylamino]butan-2-ol
CID 64912799
2,2-difluoro-3-[1-(3-methylthiophen-2-yl)ethylamino]propan-1-ol
CID 104860527
1-(4-tert-butylphenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 63827300
N-[2-(2,2,2-trifluoroethoxy)ethyl]-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine
CID 63827120
7-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]octan-1-amine
CID 63991434

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylthiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The IUPAC name of 1-(3-methylthiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine (CID 63993286) is 1-(3-methylthiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine.
What is the SMILES notation for 1-(3-methylthiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The canonical SMILES for 1-(3-methylthiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine is Cc1ccsc1C(C)NCCOCC(F)(F)F.
What is the InChIKey of 1-(3-methylthiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The InChIKey is GLJFTKUWIWPBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NOS/c1-8-3-6-17-10(8)9(2)15-4-5-16-7-11(12,13)14/h3,6,9,15H,4-5,7H2,1-2H3.
What are the key properties of 1-(3-methylthiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
1-(3-methylthiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine has a molecular weight of 267.32 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylthiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine is sourced from PubChem (CID 63993286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).