N-[1-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine

C12H18F3NOS — CID 103207354

IUPACN-[1-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
SMILESCCCNC(COCC(F)(F)F)c1ccc(C)s1
InChIInChI=1S/C12H18F3NOS/c1-3-6-16-10(7-17-8-12(13,14)15)11-5-4-9(2)18-11/h4-5,10,16H,3,6-8H2,1-2H3
InChIKeyGGRYKGKZJDJRRW-UHFFFAOYSA-N
MW281.34 g/mol
LogP3.68
Rot. Bonds7

About N-[1-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine

N-[1-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine (PubChem CID 103207354) has the molecular formula C12H18F3NOS and a molecular weight of 281.34 g/mol. Its IUPAC name is N-[1-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
PubChem CID103207354
Molecular FormulaC12H18F3NOS
Molecular Weight281.34 g/mol
Exact Mass281.11
IUPAC NameN-[1-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
SMILESCCCNC(COCC(F)(F)F)c1ccc(C)s1
InChIInChI=1S/C12H18F3NOS/c1-3-6-16-10(7-17-8-12(13,14)15)11-5-4-9(2)18-11/h4-5,10,16H,3,6-8H2,1-2H3
InChIKeyGGRYKGKZJDJRRW-UHFFFAOYSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207180
N-ethyl-1-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207286
1-(5-methylthiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 55151709
N-[1-(3,4-difluorophenyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 103207376
N-[1-(2-chloro-5-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 103216525
1-(5-methylthiophen-2-yl)-N-propylpent-4-en-1-amine
CID 104987443
N-[1-(5-bromothiophen-2-yl)-2-propoxyethyl]propan-1-amine
CID 79575330
N-[2-(5-ethylthiophen-2-yl)-1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 115842479
N-[1-(cyclopenten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 103207516
N-[1-(2-fluoro-3-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 103216049
methyl 5-[1-(propylamino)-2-(2,2,2-trifluoroethoxy)ethyl]furan-2-carboxylate
CID 103207844
N-[1-(2-chloro-4-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 103207420

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The IUPAC name of N-[1-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine (CID 103207354) is N-[1-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine is CCCNC(COCC(F)(F)F)c1ccc(C)s1.
What is the InChIKey of N-[1-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The InChIKey is GGRYKGKZJDJRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NOS/c1-3-6-16-10(7-17-8-12(13,14)15)11-5-4-9(2)18-11/h4-5,10,16H,3,6-8H2,1-2H3.
What are the key properties of N-[1-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
N-[1-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine has a molecular weight of 281.34 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine is sourced from PubChem (CID 103207354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).