(1R)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanamine

C14H16F3N3 — CID 165135333

IUPAC(1R)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanamine
SMILESCCn1cc(C(F)(F)F)nc1-c1ccc([C@@H](C)N)cc1
InChIInChI=1S/C14H16F3N3/c1-3-20-8-12(14(15,16)17)19-13(20)11-6-4-10(5-7-11)9(2)18/h4-9H,3,18H2,1-2H3/t9-/m1/s1
InChIKeyRCWHDHPAGTYJLG-SECBINFHSA-N
MW283.30 g/mol
LogP3.61
Rot. Bonds3

About (1R)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanamine

(1R)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanamine (PubChem CID 165135333) has the molecular formula C14H16F3N3 and a molecular weight of 283.30 g/mol. Its IUPAC name is (1R)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanamine
PubChem CID165135333
Molecular FormulaC14H16F3N3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC Name(1R)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanamine
SMILESCCn1cc(C(F)(F)F)nc1-c1ccc([C@@H](C)N)cc1
InChIInChI=1S/C14H16F3N3/c1-3-20-8-12(14(15,16)17)19-13(20)11-6-4-10(5-7-11)9(2)18/h4-9H,3,18H2,1-2H3/t9-/m1/s1
InChIKeyRCWHDHPAGTYJLG-SECBINFHSA-N
XLogP3.61
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-1-propyl-4-(trifluoromethyl)imidazole
CID 162440281
4-cyclopropyl-5-[1-[(1R)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]pyrazol-3-yl]-6-methoxypyrimidine
CID 175360017
2,2,2-trifluoro-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanol
CID 172585714
2-chloro-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-methylpyrimidine
CID 172585614
6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[(1S)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-3-methoxypyrazolo[3,4-d]pyrimidine
CID 151347313
2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[(1R)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 168841744
1-[4-(4-chloro-1-methylimidazol-2-yl)phenyl]ethanamine
CID 165135050
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[(1S)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 168841783
4-[1-[(2-methylphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide
CID 59532168
1-methyl-3-[[4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]-1,2,4-triazole
CID 171500959
2-bromo-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 168841703
2-[4-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]-4-[(1S)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 162378545

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanamine?
The IUPAC name of (1R)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanamine (CID 165135333) is (1R)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanamine is CCn1cc(C(F)(F)F)nc1-c1ccc([C@@H](C)N)cc1.
What is the InChIKey of (1R)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanamine?
The InChIKey is RCWHDHPAGTYJLG-SECBINFHSA-N. The full InChI is InChI=1S/C14H16F3N3/c1-3-20-8-12(14(15,16)17)19-13(20)11-6-4-10(5-7-11)9(2)18/h4-9H,3,18H2,1-2H3/t9-/m1/s1.
What are the key properties of (1R)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanamine?
(1R)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanamine has a molecular weight of 283.30 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanamine is sourced from PubChem (CID 165135333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).