N-[(4,5-dimethylthiophen-2-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine

C15H16F3NOS — CID 65246409

IUPACN-[(4,5-dimethylthiophen-2-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine
SMILESCc1cc(CNCc2ccccc2OC(F)(F)F)sc1C
InChIInChI=1S/C15H16F3NOS/c1-10-7-13(21-11(10)2)9-19-8-12-5-3-4-6-14(12)20-15(16,17)18/h3-7,19H,8-9H2,1-2H3
InChIKeyZGDQBOYQMIHJCC-UHFFFAOYSA-N
MW315.36 g/mol
LogP4.55
Rot. Bonds5

About N-[(4,5-dimethylthiophen-2-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine

N-[(4,5-dimethylthiophen-2-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine (PubChem CID 65246409) has the molecular formula C15H16F3NOS and a molecular weight of 315.36 g/mol. Its IUPAC name is N-[(4,5-dimethylthiophen-2-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound NameN-[(4,5-dimethylthiophen-2-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine
PubChem CID65246409
Molecular FormulaC15H16F3NOS
Molecular Weight315.36 g/mol
Exact Mass315.09
IUPAC NameN-[(4,5-dimethylthiophen-2-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine
SMILESCc1cc(CNCc2ccccc2OC(F)(F)F)sc1C
InChIInChI=1S/C15H16F3NOS/c1-10-7-13(21-11(10)2)9-19-8-12-5-3-4-6-14(12)20-15(16,17)18/h3-7,19H,8-9H2,1-2H3
InChIKeyZGDQBOYQMIHJCC-UHFFFAOYSA-N
XLogP4.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine (CID 65246409) is N-[(4,5-dimethylthiophen-2-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for N-[(4,5-dimethylthiophen-2-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for N-[(4,5-dimethylthiophen-2-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine is Cc1cc(CNCc2ccccc2OC(F)(F)F)sc1C.
What is the InChIKey of N-[(4,5-dimethylthiophen-2-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is ZGDQBOYQMIHJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NOS/c1-10-7-13(21-11(10)2)9-19-8-12-5-3-4-6-14(12)20-15(16,17)18/h3-7,19H,8-9H2,1-2H3.
What are the key properties of N-[(4,5-dimethylthiophen-2-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine?
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 315.36 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethylthiophen-2-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 65246409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).