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

C14H16F3N3 — CID 102754769

IUPACN-[1H-imidazol-2-yl-[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCCNC(c1ncc[nH]1)c1ccc(C(F)(F)F)cc1C
InChIInChI=1S/C14H16F3N3/c1-3-18-12(13-19-6-7-20-13)11-5-4-10(8-9(11)2)14(15,16)17/h4-8,12,18H,3H2,1-2H3,(H,19,20)
InChIKeyPIBYHKGEMMICRW-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.44
Rot. Bonds4

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

N-[1H-imidazol-2-yl-[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethanamine (PubChem CID 102754769) has the molecular formula C14H16F3N3 and a molecular weight of 283.30 g/mol. Its IUPAC name is N-[1H-imidazol-2-yl-[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[1H-imidazol-2-yl-[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethanamine
PubChem CID102754769
Molecular FormulaC14H16F3N3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC NameN-[1H-imidazol-2-yl-[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCCNC(c1ncc[nH]1)c1ccc(C(F)(F)F)cc1C
InChIInChI=1S/C14H16F3N3/c1-3-18-12(13-19-6-7-20-13)11-5-4-10(8-9(11)2)14(15,16)17/h4-8,12,18H,3H2,1-2H3,(H,19,20)
InChIKeyPIBYHKGEMMICRW-UHFFFAOYSA-N
XLogP3.44
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-methyl-4-(trifluoromethyl)phenyl]-pyridin-4-ylmethyl]ethanamine
CID 102753570
N-[[2-methyl-4-(trifluoromethyl)phenyl]-(2H-triazol-4-yl)methyl]ethanamine
CID 102754825
N-[[2-methyl-4-(trifluoromethyl)phenyl]-phenylmethyl]ethanamine
CID 102753616
N-[[2-methyl-4-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]ethanamine
CID 102753433
N-[(3-fluoro-4-pyridinyl)-(1H-imidazol-2-yl)methyl]ethanamine
CID 104738570
N-[(2-methylfuran-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 102755153
N-[(5-fluoro-2-methoxyphenyl)-(1H-imidazol-2-yl)methyl]ethanamine
CID 82769949
N-[(4-bromo-3-chloro-2-fluorophenyl)-(1H-imidazol-2-yl)methyl]ethanamine
CID 106762810
N-[3-bicyclo[3.1.0]hexanyl-[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 102758303
N-[1H-imidazol-2-yl(quinolin-8-yl)methyl]ethanamine
CID 81231091
N-ethyl-3-methoxy-1-[2-methyl-4-(trifluoromethyl)phenyl]butan-1-amine
CID 102755108
N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]hexan-1-amine
CID 102758491

Frequently Asked Questions

What is the IUPAC name of N-[1H-imidazol-2-yl-[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[1H-imidazol-2-yl-[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethanamine (CID 102754769) is N-[1H-imidazol-2-yl-[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[1H-imidazol-2-yl-[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[1H-imidazol-2-yl-[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethanamine is CCNC(c1ncc[nH]1)c1ccc(C(F)(F)F)cc1C.
What is the InChIKey of N-[1H-imidazol-2-yl-[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethanamine?
The InChIKey is PIBYHKGEMMICRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3/c1-3-18-12(13-19-6-7-20-13)11-5-4-10(8-9(11)2)14(15,16)17/h4-8,12,18H,3H2,1-2H3,(H,19,20).
What are the key properties of N-[1H-imidazol-2-yl-[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethanamine?
N-[1H-imidazol-2-yl-[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethanamine has a molecular weight of 283.30 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1H-imidazol-2-yl-[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 102754769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).