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

C14H16F3N3 — CID 107974876

IUPACN-[(1-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCCNC(c1ccc(C(F)(F)F)cc1)c1cn(C)cn1
InChIInChI=1S/C14H16F3N3/c1-3-18-13(12-8-20(2)9-19-12)10-4-6-11(7-5-10)14(15,16)17/h4-9,13,18H,3H2,1-2H3
InChIKeyFTXLRRRDEWOJBN-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.14
Rot. Bonds4

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

N-[(1-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine (PubChem CID 107974876) has the molecular formula C14H16F3N3 and a molecular weight of 283.30 g/mol. Its IUPAC name is N-[(1-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine
PubChem CID107974876
Molecular FormulaC14H16F3N3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC NameN-[(1-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCCNC(c1ccc(C(F)(F)F)cc1)c1cn(C)cn1
InChIInChI=1S/C14H16F3N3/c1-3-18-13(12-8-20(2)9-19-12)10-4-6-11(7-5-10)14(15,16)17/h4-9,13,18H,3H2,1-2H3
InChIKeyFTXLRRRDEWOJBN-UHFFFAOYSA-N
XLogP3.14
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]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-[(4-chlorophenyl)-(1-methylimidazol-4-yl)methyl]ethanamine
CID 107973322
N-[[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylimidazol-4-yl)methyl]ethanamine
CID 107978064
N-[[4-fluoro-3-(trifluoromethyl)phenyl]-(1-methylimidazol-4-yl)methyl]ethanamine
CID 107978068
(1-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 114022944
N-[(3-ethylphenyl)-(1-methylimidazol-4-yl)methyl]ethanamine
CID 107976676
N-[(1-methylimidazol-4-yl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 107975197
N-[(2-chloro-5-fluorophenyl)-(1-methylimidazol-4-yl)methyl]ethanamine
CID 107977844
N-ethyl-1-(1-methylimidazol-4-yl)propan-1-amine
CID 107973398
N-[(1-methylimidazol-2-yl)-(1-methylimidazol-4-yl)methyl]ethanamine
CID 107975384
N-[(2-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 62790911
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 61331977
N-[(2,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methyl]ethanamine
CID 107975141

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[(1-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine (CID 107974876) is N-[(1-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[(1-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[(1-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine is CCNC(c1ccc(C(F)(F)F)cc1)c1cn(C)cn1.
What is the InChIKey of N-[(1-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine?
The InChIKey is FTXLRRRDEWOJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3/c1-3-18-13(12-8-20(2)9-19-12)10-4-6-11(7-5-10)14(15,16)17/h4-9,13,18H,3H2,1-2H3.
What are the key properties of N-[(1-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine?
N-[(1-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine has a molecular weight of 283.30 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 107974876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).