(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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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).