N-methyl-2-[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanamine

C14H16F3N3 — CID 79985317

IUPACN-methyl-2-[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanamine
SMILESCNCCc1cn(Cc2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C14H16F3N3/c1-18-7-6-13-9-20(10-19-13)8-11-2-4-12(5-3-11)14(15,16)17/h2-5,9-10,18H,6-8H2,1H3
InChIKeyYIINXEAGPPCGNT-UHFFFAOYSA-N
MW283.30 g/mol
LogP2.71
Rot. Bonds5

About N-methyl-2-[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanamine

N-methyl-2-[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanamine (PubChem CID 79985317) has the molecular formula C14H16F3N3 and a molecular weight of 283.30 g/mol. Its IUPAC name is N-methyl-2-[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanamine
PubChem CID79985317
Molecular FormulaC14H16F3N3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC NameN-methyl-2-[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanamine
SMILESCNCCc1cn(Cc2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C14H16F3N3/c1-18-7-6-13-9-20(10-19-13)8-11-2-4-12(5-3-11)14(15,16)17/h2-5,9-10,18H,6-8H2,1H3
InChIKeyYIINXEAGPPCGNT-UHFFFAOYSA-N
XLogP2.71
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanamine?
The IUPAC name of N-methyl-2-[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanamine (CID 79985317) is N-methyl-2-[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanamine?
The canonical SMILES for N-methyl-2-[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanamine is CNCCc1cn(Cc2ccc(C(F)(F)F)cc2)cn1.
What is the InChIKey of N-methyl-2-[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanamine?
The InChIKey is YIINXEAGPPCGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3/c1-18-7-6-13-9-20(10-19-13)8-11-2-4-12(5-3-11)14(15,16)17/h2-5,9-10,18H,6-8H2,1H3.
What are the key properties of N-methyl-2-[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanamine?
N-methyl-2-[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanamine has a molecular weight of 283.30 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanamine is sourced from PubChem (CID 79985317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).