N-[[5-(methoxymethyl)thiophen-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine

C15H16F3NOS — CID 53273850

IUPACN-[[5-(methoxymethyl)thiophen-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESCOCc1ccc(CNCc2ccccc2C(F)(F)F)s1
InChIInChI=1S/C15H16F3NOS/c1-20-10-13-7-6-12(21-13)9-19-8-11-4-2-3-5-14(11)15(16,17)18/h2-7,19H,8-10H2,1H3
InChIKeyWMOCDCXFEHDWMB-UHFFFAOYSA-N
MW315.36 g/mol
LogP4.20
Rot. Bonds6

About N-[[5-(methoxymethyl)thiophen-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine

N-[[5-(methoxymethyl)thiophen-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine (PubChem CID 53273850) has the molecular formula C15H16F3NOS and a molecular weight of 315.36 g/mol. Its IUPAC name is N-[[5-(methoxymethyl)thiophen-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[[5-(methoxymethyl)thiophen-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
PubChem CID53273850
Molecular FormulaC15H16F3NOS
Molecular Weight315.36 g/mol
Exact Mass315.09
IUPAC NameN-[[5-(methoxymethyl)thiophen-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESCOCc1ccc(CNCc2ccccc2C(F)(F)F)s1
InChIInChI=1S/C15H16F3NOS/c1-20-10-13-7-6-12(21-13)9-19-8-11-4-2-3-5-14(11)15(16,17)18/h2-7,19H,8-10H2,1H3
InChIKeyWMOCDCXFEHDWMB-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[5-(1-aminoethyl)thiophen-2-yl]-6-fluorophenyl]methyl N-methylcarbamate
CID 156495962
N-[[5-(methoxymethyl)thiophen-2-yl]methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 53273668
N-[[5-(methoxymethyl)thiophen-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 53273669
1-(4-fluorophenyl)-N-[[5-(methoxymethyl)thiophen-2-yl]methyl]methanamine
CID 53273761
2-(4-fluorophenyl)-N-[[5-(methoxymethyl)thiophen-2-yl]methyl]ethanamine
CID 53273770
2-(2-fluorophenyl)-N-[[5-(methoxymethyl)thiophen-2-yl]methyl]ethanamine
CID 53273784
1-(2-fluorophenyl)-N-[[5-(methoxymethyl)thiophen-2-yl]methyl]methanamine
CID 53273807
2-(3-fluorophenyl)-N-[[5-(methoxymethyl)thiophen-2-yl]methyl]ethanamine
CID 53273808
N-[[4-fluoro-3-(methoxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine
CID 55073014
N-[[3-(ethoxymethyl)-4-fluoro-1-benzothiophen-2-yl]methyl]propan-1-amine
CID 55073064
1-[4-fluoro-3-(2-methylpropoxymethyl)-1-benzothiophen-2-yl]-N-methylmethanamine
CID 55073164
1-[3-(but-3-enoxymethyl)-4-fluoro-1-benzothiophen-2-yl]-N-methylmethanamine
CID 55073344

Frequently Asked Questions

What is the IUPAC name of N-[[5-(methoxymethyl)thiophen-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-[[5-(methoxymethyl)thiophen-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine (CID 53273850) is N-[[5-(methoxymethyl)thiophen-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-[[5-(methoxymethyl)thiophen-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-[[5-(methoxymethyl)thiophen-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine is COCc1ccc(CNCc2ccccc2C(F)(F)F)s1.
What is the InChIKey of N-[[5-(methoxymethyl)thiophen-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is WMOCDCXFEHDWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NOS/c1-20-10-13-7-6-12(21-13)9-19-8-11-4-2-3-5-14(11)15(16,17)18/h2-7,19H,8-10H2,1H3.
What are the key properties of N-[[5-(methoxymethyl)thiophen-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine?
N-[[5-(methoxymethyl)thiophen-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 315.36 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(methoxymethyl)thiophen-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 53273850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).