N-[(5-methylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine

C15H16F3NS — CID 43488227

IUPACN-[(5-methylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCCNC(c1cccc(C(F)(F)F)c1)c1ccc(C)s1
InChIInChI=1S/C15H16F3NS/c1-3-19-14(13-8-7-10(2)20-13)11-5-4-6-12(9-11)15(16,17)18/h4-9,14,19H,3H2,1-2H3
InChIKeyRJTPKKRLPABLIW-UHFFFAOYSA-N
MW299.36 g/mol
LogP4.77
Rot. Bonds4

About N-[(5-methylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine

N-[(5-methylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine (PubChem CID 43488227) has the molecular formula C15H16F3NS and a molecular weight of 299.36 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine
PubChem CID43488227
Molecular FormulaC15H16F3NS
Molecular Weight299.36 g/mol
Exact Mass299.10
IUPAC NameN-[(5-methylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCCNC(c1cccc(C(F)(F)F)c1)c1ccc(C)s1
InChIInChI=1S/C15H16F3NS/c1-3-19-14(13-8-7-10(2)20-13)11-5-4-6-12(9-11)15(16,17)18/h4-9,14,19H,3H2,1-2H3
InChIKeyRJTPKKRLPABLIW-UHFFFAOYSA-N
XLogP4.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-iodophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine
CID 43488129
N-[pyrimidin-2-yl-[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 62789684
N-[(5-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine
CID 43488213
1-(5-ethylthiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
CID 43480838
N-[(5-ethylfuran-2-yl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 62346589
N-[1-(5-methylthiophen-2-yl)ethyl]-3-(trifluoromethyl)aniline
CID 43095809
N-[(3-chloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 103444525
N-[furan-3-yl-(5-methylthiophen-2-yl)methyl]ethanamine
CID 43488095
N,3-diethyl-1-[3-(trifluoromethyl)phenyl]pentan-1-amine
CID 82920537
N-[[2-methyl-4-(trifluoromethyl)phenyl]-phenylmethyl]ethanamine
CID 102753616
N-[(3-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 62789996
N-[(5-chloro-2-fluorophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine
CID 43488147

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[(5-methylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine (CID 43488227) is N-[(5-methylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[(5-methylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine is CCNC(c1cccc(C(F)(F)F)c1)c1ccc(C)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine?
The InChIKey is RJTPKKRLPABLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NS/c1-3-19-14(13-8-7-10(2)20-13)11-5-4-6-12(9-11)15(16,17)18/h4-9,14,19H,3H2,1-2H3.
What are the key properties of N-[(5-methylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine?
N-[(5-methylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine has a molecular weight of 299.36 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 43488227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).