N-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine

C15H17F3N2O — CID 134794375

IUPACN-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine
SMILESCN(Cc1ccc(OC(F)(F)F)cc1)Cc1cccn1C
InChIInChI=1S/C15H17F3N2O/c1-19(11-13-4-3-9-20(13)2)10-12-5-7-14(8-6-12)21-15(16,17)18/h3-9H,10-11H2,1-2H3
InChIKeyXXOXRRWFSXRYTD-UHFFFAOYSA-N
MW298.31 g/mol
LogP3.56
Rot. Bonds5

About N-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine

N-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine (PubChem CID 134794375) has the molecular formula C15H17F3N2O and a molecular weight of 298.31 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine
PubChem CID134794375
Molecular FormulaC15H17F3N2O
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC NameN-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine
SMILESCN(Cc1ccc(OC(F)(F)F)cc1)Cc1cccn1C
InChIInChI=1S/C15H17F3N2O/c1-19(11-13-4-3-9-20(13)2)10-12-5-7-14(8-6-12)21-15(16,17)18/h3-9H,10-11H2,1-2H3
InChIKeyXXOXRRWFSXRYTD-UHFFFAOYSA-N
XLogP3.56
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of N-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine (CID 134794375) is N-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for N-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for N-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine is CN(Cc1ccc(OC(F)(F)F)cc1)Cc1cccn1C.
What is the InChIKey of N-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is XXOXRRWFSXRYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O/c1-19(11-13-4-3-9-20(13)2)10-12-5-7-14(8-6-12)21-15(16,17)18/h3-9H,10-11H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine?
N-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 298.31 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 134794375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).