N-methyl-1-thiophen-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine

C15H16F3NOS — CID 134793831

IUPACN-methyl-1-thiophen-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
SMILESCC(c1cccs1)N(C)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H16F3NOS/c1-11(14-4-3-9-21-14)19(2)10-12-5-7-13(8-6-12)20-15(16,17)18/h3-9,11H,10H2,1-2H3
InChIKeyPIEFUTUQMVHSEG-UHFFFAOYSA-N
MW315.36 g/mol
LogP4.84
Rot. Bonds5

About N-methyl-1-thiophen-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine

N-methyl-1-thiophen-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine (PubChem CID 134793831) has the molecular formula C15H16F3NOS and a molecular weight of 315.36 g/mol. Its IUPAC name is N-methyl-1-thiophen-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-thiophen-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
PubChem CID134793831
Molecular FormulaC15H16F3NOS
Molecular Weight315.36 g/mol
Exact Mass315.09
IUPAC NameN-methyl-1-thiophen-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
SMILESCC(c1cccs1)N(C)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H16F3NOS/c1-11(14-4-3-9-21-14)19(2)10-12-5-7-13(8-6-12)20-15(16,17)18/h3-9,11H,10H2,1-2H3
InChIKeyPIEFUTUQMVHSEG-UHFFFAOYSA-N
XLogP4.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 134794915
(1R)-N-methyl-1-naphthalen-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 72708683
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-1-thiophen-2-ylethanamine
CID 62429055
4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]benzamide
CID 42926219
N-methyl-2-thiophen-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 52570534
N-[4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]phenyl]acetamide
CID 134794050
thiophen-2-yl-[4-(trifluoromethoxy)phenyl]methanol
CID 63893402
N-[2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 134003801
N-methyl-2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-N-(1-phenylethyl)acetamide
CID 55572578
4-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]butan-2-ol
CID 111488549
2-methoxy-5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]benzoic acid
CID 65339650
N-[2-(4-bromophenoxy)ethyl]-N-methyl-1-thiophen-2-ylethanamine
CID 60700084

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-thiophen-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-methyl-1-thiophen-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine (CID 134793831) is N-methyl-1-thiophen-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-methyl-1-thiophen-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-methyl-1-thiophen-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine is CC(c1cccs1)N(C)Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-methyl-1-thiophen-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine?
The InChIKey is PIEFUTUQMVHSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NOS/c1-11(14-4-3-9-21-14)19(2)10-12-5-7-13(8-6-12)20-15(16,17)18/h3-9,11H,10H2,1-2H3.
What are the key properties of N-methyl-1-thiophen-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine?
N-methyl-1-thiophen-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine has a molecular weight of 315.36 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-thiophen-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 134793831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).