N-methyl-1-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine

C10H14F3NOS — CID 103207180

IUPACN-methyl-1-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCNC(COCC(F)(F)F)c1ccc(C)s1
InChIInChI=1S/C10H14F3NOS/c1-7-3-4-9(16-7)8(14-2)5-15-6-10(11,12)13/h3-4,8,14H,5-6H2,1-2H3
InChIKeyAATFWDAPNJSJPY-UHFFFAOYSA-N
MW253.29 g/mol
LogP2.90
Rot. Bonds5

About N-methyl-1-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine

N-methyl-1-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103207180) has the molecular formula C10H14F3NOS and a molecular weight of 253.29 g/mol. Its IUPAC name is N-methyl-1-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103207180
Molecular FormulaC10H14F3NOS
Molecular Weight253.29 g/mol
Exact Mass253.07
IUPAC NameN-methyl-1-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCNC(COCC(F)(F)F)c1ccc(C)s1
InChIInChI=1S/C10H14F3NOS/c1-7-3-4-9(16-7)8(14-2)5-15-6-10(11,12)13/h3-4,8,14H,5-6H2,1-2H3
InChIKeyAATFWDAPNJSJPY-UHFFFAOYSA-N
XLogP2.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 103207354
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
1-(2,6-difluorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215329
N-methyl-1-(6-methyl-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215250
4-ethoxy-N-methyl-1-(5-methylthiophen-2-yl)butan-1-amine
CID 105162024
N-methyl-1-(5-methylthiophen-2-yl)pentan-1-amine
CID 43480384
2-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 61346981
1-(2,5-difluoro-4-methylphenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103746481
1-(2,4-difluoro-5-methylphenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207699
N,3-dimethyl-1-(5-methylthiophen-2-yl)pentan-1-amine
CID 114874222
1-(2,5-dichlorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207255

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-methyl-1-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103207180) is N-methyl-1-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-methyl-1-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-methyl-1-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is CNC(COCC(F)(F)F)c1ccc(C)s1.
What is the InChIKey of N-methyl-1-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is AATFWDAPNJSJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NOS/c1-7-3-4-9(16-7)8(14-2)5-15-6-10(11,12)13/h3-4,8,14H,5-6H2,1-2H3.
What are the key properties of N-methyl-1-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
N-methyl-1-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 253.29 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103207180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).