N-[(4-ethyl-5-methylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine

C10H14F3NS — CID 114749192

IUPACN-[(4-ethyl-5-methylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine
SMILESCCc1c(CNCC(F)(F)F)csc1C
InChIInChI=1S/C10H14F3NS/c1-3-9-7(2)15-5-8(9)4-14-6-10(11,12)13/h5,14H,3-4,6H2,1-2H3
InChIKeyZOPUQIVQTAJEQW-UHFFFAOYSA-N
MW237.29 g/mol
LogP3.27
Rot. Bonds4

About N-[(4-ethyl-5-methylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine

N-[(4-ethyl-5-methylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine (PubChem CID 114749192) has the molecular formula C10H14F3NS and a molecular weight of 237.29 g/mol. Its IUPAC name is N-[(4-ethyl-5-methylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[(4-ethyl-5-methylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine
PubChem CID114749192
Molecular FormulaC10H14F3NS
Molecular Weight237.29 g/mol
Exact Mass237.08
IUPAC NameN-[(4-ethyl-5-methylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine
SMILESCCc1c(CNCC(F)(F)F)csc1C
InChIInChI=1S/C10H14F3NS/c1-3-9-7(2)15-5-8(9)4-14-6-10(11,12)13/h5,14H,3-4,6H2,1-2H3
InChIKeyZOPUQIVQTAJEQW-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-ethyl-5-methylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine with MolForge

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Related Compounds

Methyl[(3-methylthiophen-2-yl)methyl]amine hydrochloride
CID 16187615
N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 961382
2-methyl-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 961341
3-methyl-4H,5H,6H,7H-thieno(3,2-c)pyridine hydrochloride
CID 155977909
1-[(4-Ethyl-5-methylthiophen-3-yl)methyl]piperidine
CID 22554375
N-benzyl-2,2,2-trifluoro-1-thiophen-2-ylethanamine
CID 101053434
3-methyl-4H,5H,6H,7H-thieno[3,2-c]pyridine
CID 18377318
N-(2-thienylmethyl)-N-[2-(trifluoromethyl)benzyl]amine
CID 28668393
N'-[[5-(trifluoromethyl)thiophen-3-yl]methyl]ethane-1,2-diamine
CID 70458054
N-[1-(3,5-dimethylthiophen-2-yl)ethenyl]-2,2-difluoropropan-1-amine
CID 130216957
N-methyl-2-[2-propyl-4-(trifluoromethyl)thiophen-3-yl]propan-1-amine
CID 132196132
N'-[(3-fluoro-4-methylthiophen-2-yl)methyl]-N-methylethane-1,2-diamine
CID 134343320

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-5-methylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[(4-ethyl-5-methylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine (CID 114749192) is N-[(4-ethyl-5-methylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[(4-ethyl-5-methylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[(4-ethyl-5-methylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine is CCc1c(CNCC(F)(F)F)csc1C.
What is the InChIKey of N-[(4-ethyl-5-methylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine?
The InChIKey is ZOPUQIVQTAJEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NS/c1-3-9-7(2)15-5-8(9)4-14-6-10(11,12)13/h5,14H,3-4,6H2,1-2H3.
What are the key properties of N-[(4-ethyl-5-methylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine?
N-[(4-ethyl-5-methylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine has a molecular weight of 237.29 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-5-methylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 114749192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).