N-[2-(1H-imidazol-5-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine

C14H16F3N3 — CID 65230871

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCC(NCCc1cnc[nH]1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H16F3N3/c1-10(19-7-6-13-8-18-9-20-13)11-2-4-12(5-3-11)14(15,16)17/h2-5,8-10,19H,6-7H2,1H3,(H,18,20)
InChIKeyHHLWKXXAVQEPKM-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.32
Rot. Bonds5

About N-[2-(1H-imidazol-5-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine

N-[2-(1H-imidazol-5-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 65230871) has the molecular formula C14H16F3N3 and a molecular weight of 283.30 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
PubChem CID65230871
Molecular FormulaC14H16F3N3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCC(NCCc1cnc[nH]1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H16F3N3/c1-10(19-7-6-13-8-18-9-20-13)11-2-4-12(5-3-11)14(15,16)17/h2-5,8-10,19H,6-7H2,1H3,(H,18,20)
InChIKeyHHLWKXXAVQEPKM-UHFFFAOYSA-N
XLogP3.32
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1H-imidazol-5-yl)ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 65230680
1-(4-butylphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine
CID 65230971
N-[2-(1H-imidazol-5-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 10083717
N-[2-(1H-imidazol-5-yl)ethyl]butan-2-amine
CID 65232249
N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 65231921
1-(2,3-difluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine
CID 114058190
bis(but-2-enedioic acid);7-[2-(1H-imidazol-5-yl)ethylamino]-N-[4-(trifluoromethyl)phenyl]octanamide
CID 57357684
(1S)-1-(4-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 81353258
(1R)-N-(1H-imidazol-5-ylmethyl)-1-phenylethanamine
CID 63714042
3-ethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 43196227
N-[2-(2-methylpyrazol-3-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 104693840
1-(2-chloro-4-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine
CID 65232432

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine (CID 65230871) is N-[2-(1H-imidazol-5-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine is CC(NCCc1cnc[nH]1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is HHLWKXXAVQEPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3/c1-10(19-7-6-13-8-18-9-20-13)11-2-4-12(5-3-11)14(15,16)17/h2-5,8-10,19H,6-7H2,1H3,(H,18,20).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine?
N-[2-(1H-imidazol-5-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 283.30 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 65230871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).