N-[[5-[[4-(trifluoromethyl)phenoxy]methyl]thiophen-2-yl]methyl]ethanamine

C15H16F3NOS — CID 107557974

IUPACN-[[5-[[4-(trifluoromethyl)phenoxy]methyl]thiophen-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(COc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C15H16F3NOS/c1-2-19-9-13-7-8-14(21-13)10-20-12-5-3-11(4-6-12)15(16,17)18/h3-8,19H,2,9-10H2,1H3
InChIKeyBWDCJJDOZJYDCQ-UHFFFAOYSA-N
MW315.36 g/mol
LogP4.46
Rot. Bonds6

About N-[[5-[[4-(trifluoromethyl)phenoxy]methyl]thiophen-2-yl]methyl]ethanamine

N-[[5-[[4-(trifluoromethyl)phenoxy]methyl]thiophen-2-yl]methyl]ethanamine (PubChem CID 107557974) has the molecular formula C15H16F3NOS and a molecular weight of 315.36 g/mol. Its IUPAC name is N-[[5-[[4-(trifluoromethyl)phenoxy]methyl]thiophen-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[[4-(trifluoromethyl)phenoxy]methyl]thiophen-2-yl]methyl]ethanamine
PubChem CID107557974
Molecular FormulaC15H16F3NOS
Molecular Weight315.36 g/mol
Exact Mass315.09
IUPAC NameN-[[5-[[4-(trifluoromethyl)phenoxy]methyl]thiophen-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(COc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C15H16F3NOS/c1-2-19-9-13-7-8-14(21-13)10-20-12-5-3-11(4-6-12)15(16,17)18/h3-8,19H,2,9-10H2,1H3
InChIKeyBWDCJJDOZJYDCQ-UHFFFAOYSA-N
XLogP4.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-[[4-(trifluoromethyl)phenoxy]methyl]thiophen-2-yl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-[(4-ethylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine
CID 107558453
N-[[5-[(4-methylsulfanylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine
CID 107558912
N-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)thiophen-2-yl]methyl]ethanamine
CID 107559337
N-[[5-(pyridin-3-yloxymethyl)thiophen-2-yl]methyl]ethanamine
CID 107558300
N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)thiophen-2-yl]methyl]ethanamine
CID 107559062
N-[[5-[(4-ethylphenoxy)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107558452
N-[[5-(2-phenoxyethoxymethyl)thiophen-2-yl]methyl]ethanamine
CID 107558136
2-methyl-N-[[5-[(4-methylphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107558356
N-ethyl-2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 79621726
N-[[5-(2,2-difluoroethoxymethyl)thiophen-2-yl]methyl]ethanamine
CID 107559170
N-ethyl-5-[4-(trifluoromethyl)phenoxy]pentan-1-amine
CID 55073008
N-[[5-(cyclopropylmethoxymethyl)thiophen-2-yl]methyl]ethanamine
CID 107558241

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[4-(trifluoromethyl)phenoxy]methyl]thiophen-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[[4-(trifluoromethyl)phenoxy]methyl]thiophen-2-yl]methyl]ethanamine (CID 107557974) is N-[[5-[[4-(trifluoromethyl)phenoxy]methyl]thiophen-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[[4-(trifluoromethyl)phenoxy]methyl]thiophen-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[[4-(trifluoromethyl)phenoxy]methyl]thiophen-2-yl]methyl]ethanamine is CCNCc1ccc(COc2ccc(C(F)(F)F)cc2)s1.
What is the InChIKey of N-[[5-[[4-(trifluoromethyl)phenoxy]methyl]thiophen-2-yl]methyl]ethanamine?
The InChIKey is BWDCJJDOZJYDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NOS/c1-2-19-9-13-7-8-14(21-13)10-20-12-5-3-11(4-6-12)15(16,17)18/h3-8,19H,2,9-10H2,1H3.
What are the key properties of N-[[5-[[4-(trifluoromethyl)phenoxy]methyl]thiophen-2-yl]methyl]ethanamine?
N-[[5-[[4-(trifluoromethyl)phenoxy]methyl]thiophen-2-yl]methyl]ethanamine has a molecular weight of 315.36 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[4-(trifluoromethyl)phenoxy]methyl]thiophen-2-yl]methyl]ethanamine is sourced from PubChem (CID 107557974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).