(2,3-dimethylphenyl)-[1-(2,2,2-trifluoroethyl)-4,5-dihydroimidazol-2-yl]methanamine;hydrochloride

C14H19ClF3N3 — CID 19889744

IUPAC(2,3-dimethylphenyl)-[1-(2,2,2-trifluoroethyl)-4,5-dihydroimidazol-2-yl]methanamine;hydrochloride
SMILESCc1cccc(C(N)C2=NCCN2CC(F)(F)F)c1C.Cl
InChIInChI=1S/C14H18F3N3.ClH/c1-9-4-3-5-11(10(9)2)12(18)13-19-6-7-20(13)8-14(15,16)17;/h3-5,12H,6-8,18H2,1-2H3;1H
InChIKeyNEXDOANXVJUJKM-UHFFFAOYSA-N
MW321.77 g/mol
LogP3.00
Rot. Bonds3

About (2,3-dimethylphenyl)-[1-(2,2,2-trifluoroethyl)-4,5-dihydroimidazol-2-yl]methanamine;hydrochloride

(2,3-dimethylphenyl)-[1-(2,2,2-trifluoroethyl)-4,5-dihydroimidazol-2-yl]methanamine;hydrochloride (PubChem CID 19889744) has the molecular formula C14H19ClF3N3 and a molecular weight of 321.77 g/mol. Its IUPAC name is (2,3-dimethylphenyl)-[1-(2,2,2-trifluoroethyl)-4,5-dihydroimidazol-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name(2,3-dimethylphenyl)-[1-(2,2,2-trifluoroethyl)-4,5-dihydroimidazol-2-yl]methanamine;hydrochloride
PubChem CID19889744
Molecular FormulaC14H19ClF3N3
Molecular Weight321.77 g/mol
Exact Mass321.12
IUPAC Name(2,3-dimethylphenyl)-[1-(2,2,2-trifluoroethyl)-4,5-dihydroimidazol-2-yl]methanamine;hydrochloride
SMILESCc1cccc(C(N)C2=NCCN2CC(F)(F)F)c1C.Cl
InChIInChI=1S/C14H18F3N3.ClH/c1-9-4-3-5-11(10(9)2)12(18)13-19-6-7-20(13)8-14(15,16)17;/h3-5,12H,6-8,18H2,1-2H3;1H
InChIKeyNEXDOANXVJUJKM-UHFFFAOYSA-N
XLogP3.00
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylphenyl)-[1-(2,2,2-trifluoroethyl)-4,5-dihydroimidazol-2-yl]methanamine;hydrochloride?
The IUPAC name of (2,3-dimethylphenyl)-[1-(2,2,2-trifluoroethyl)-4,5-dihydroimidazol-2-yl]methanamine;hydrochloride (CID 19889744) is (2,3-dimethylphenyl)-[1-(2,2,2-trifluoroethyl)-4,5-dihydroimidazol-2-yl]methanamine;hydrochloride.
What is the SMILES notation for (2,3-dimethylphenyl)-[1-(2,2,2-trifluoroethyl)-4,5-dihydroimidazol-2-yl]methanamine;hydrochloride?
The canonical SMILES for (2,3-dimethylphenyl)-[1-(2,2,2-trifluoroethyl)-4,5-dihydroimidazol-2-yl]methanamine;hydrochloride is Cc1cccc(C(N)C2=NCCN2CC(F)(F)F)c1C.Cl.
What is the InChIKey of (2,3-dimethylphenyl)-[1-(2,2,2-trifluoroethyl)-4,5-dihydroimidazol-2-yl]methanamine;hydrochloride?
The InChIKey is NEXDOANXVJUJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3.ClH/c1-9-4-3-5-11(10(9)2)12(18)13-19-6-7-20(13)8-14(15,16)17;/h3-5,12H,6-8,18H2,1-2H3;1H.
What are the key properties of (2,3-dimethylphenyl)-[1-(2,2,2-trifluoroethyl)-4,5-dihydroimidazol-2-yl]methanamine;hydrochloride?
(2,3-dimethylphenyl)-[1-(2,2,2-trifluoroethyl)-4,5-dihydroimidazol-2-yl]methanamine;hydrochloride has a molecular weight of 321.77 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylphenyl)-[1-(2,2,2-trifluoroethyl)-4,5-dihydroimidazol-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 19889744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).