N-[(1-ethylimidazol-4-yl)methyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]aniline

C20H20F3N3 — CID 154441795

IUPACN-[(1-ethylimidazol-4-yl)methyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]aniline
SMILESCCn1cnc(CN(C)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)c1
InChIInChI=1S/C20H20F3N3/c1-3-26-13-18(24-14-26)12-25(2)19-10-6-16(7-11-19)15-4-8-17(9-5-15)20(21,22)23/h4-11,13-14H,3,12H2,1-2H3
InChIKeyDHENTMBYNYFIPO-UHFFFAOYSA-N
MW359.40 g/mol
LogP5.23
Rot. Bonds5

About N-[(1-ethylimidazol-4-yl)methyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]aniline

N-[(1-ethylimidazol-4-yl)methyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]aniline (PubChem CID 154441795) has the molecular formula C20H20F3N3 and a molecular weight of 359.40 g/mol. Its IUPAC name is N-[(1-ethylimidazol-4-yl)methyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound NameN-[(1-ethylimidazol-4-yl)methyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]aniline
PubChem CID154441795
Molecular FormulaC20H20F3N3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC NameN-[(1-ethylimidazol-4-yl)methyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]aniline
SMILESCCn1cnc(CN(C)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)c1
InChIInChI=1S/C20H20F3N3/c1-3-26-13-18(24-14-26)12-25(2)19-10-6-16(7-11-19)15-4-8-17(9-5-15)20(21,22)23/h4-11,13-14H,3,12H2,1-2H3
InChIKeyDHENTMBYNYFIPO-UHFFFAOYSA-N
XLogP5.23
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.40
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanamine
CID 79971788
N-methyl-2-[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanamine
CID 79985317
N-methyl-N-[[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]methyl]aniline
CID 123297366
N-methyl-N-(2-methylpropyl)-4-(trifluoromethyl)aniline
CID 134254928
2-ethyl-N,N-dimethyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine
CID 119071928
1-[N-methyl-4-(trifluoromethyl)anilino]butan-2-ol
CID 167467620
N-[2-(4,5-dichloro-2-methylimidazol-1-yl)ethyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]aniline
CID 154441785
N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719343
N,N-dimethyl-4-(trifluoromethyl)aniline
CID 6432341
N',N'-diethyl-N-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine
CID 142134445
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-ethyl-4-(trifluoromethyl)aniline
CID 141180561
1-ethyl-4-[4-(trifluoromethyl)phenyl]benzene
CID 19095059

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-4-yl)methyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]aniline?
The IUPAC name of N-[(1-ethylimidazol-4-yl)methyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]aniline (CID 154441795) is N-[(1-ethylimidazol-4-yl)methyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for N-[(1-ethylimidazol-4-yl)methyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for N-[(1-ethylimidazol-4-yl)methyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]aniline is CCn1cnc(CN(C)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)c1.
What is the InChIKey of N-[(1-ethylimidazol-4-yl)methyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]aniline?
The InChIKey is DHENTMBYNYFIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3/c1-3-26-13-18(24-14-26)12-25(2)19-10-6-16(7-11-19)15-4-8-17(9-5-15)20(21,22)23/h4-11,13-14H,3,12H2,1-2H3.
What are the key properties of N-[(1-ethylimidazol-4-yl)methyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]aniline?
N-[(1-ethylimidazol-4-yl)methyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]aniline has a molecular weight of 359.40 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-4-yl)methyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 154441795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).