N-[4,5-dihydro-1H-imidazol-2-yl-(2,3-dimethylphenyl)methyl]-2,2,2-trifluoroethanamine;hydrochloride

C14H19ClF3N3 — CID 19889652

IUPACN-[4,5-dihydro-1H-imidazol-2-yl-(2,3-dimethylphenyl)methyl]-2,2,2-trifluoroethanamine;hydrochloride
SMILESCc1cccc(C(NCC(F)(F)F)C2=NCCN2)c1C.Cl
InChIInChI=1S/C14H18F3N3.ClH/c1-9-4-3-5-11(10(9)2)12(13-18-6-7-19-13)20-8-14(15,16)17;/h3-5,12,20H,6-8H2,1-2H3,(H,18,19);1H
InChIKeyMJIMWNVFFQTCAQ-UHFFFAOYSA-N
MW321.77 g/mol
LogP2.92
Rot. Bonds4

About N-[4,5-dihydro-1H-imidazol-2-yl-(2,3-dimethylphenyl)methyl]-2,2,2-trifluoroethanamine;hydrochloride

N-[4,5-dihydro-1H-imidazol-2-yl-(2,3-dimethylphenyl)methyl]-2,2,2-trifluoroethanamine;hydrochloride (PubChem CID 19889652) has the molecular formula C14H19ClF3N3 and a molecular weight of 321.77 g/mol. Its IUPAC name is N-[4,5-dihydro-1H-imidazol-2-yl-(2,3-dimethylphenyl)methyl]-2,2,2-trifluoroethanamine;hydrochloride.

Molecular Properties

Compound NameN-[4,5-dihydro-1H-imidazol-2-yl-(2,3-dimethylphenyl)methyl]-2,2,2-trifluoroethanamine;hydrochloride
PubChem CID19889652
Molecular FormulaC14H19ClF3N3
Molecular Weight321.77 g/mol
Exact Mass321.12
IUPAC NameN-[4,5-dihydro-1H-imidazol-2-yl-(2,3-dimethylphenyl)methyl]-2,2,2-trifluoroethanamine;hydrochloride
SMILESCc1cccc(C(NCC(F)(F)F)C2=NCCN2)c1C.Cl
InChIInChI=1S/C14H18F3N3.ClH/c1-9-4-3-5-11(10(9)2)12(13-18-6-7-19-13)20-8-14(15,16)17;/h3-5,12,20H,6-8H2,1-2H3,(H,18,19);1H
InChIKeyMJIMWNVFFQTCAQ-UHFFFAOYSA-N
XLogP2.92
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4,5-dihydro-1H-imidazol-2-yl-(2,3-dimethylphenyl)methyl]-2,2,2-trifluoroethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dihydro-1H-imidazol-2-yl-(2,3-dimethylphenyl)methyl]-2,2,2-trifluoroethanamine;hydrochloride?
The IUPAC name of N-[4,5-dihydro-1H-imidazol-2-yl-(2,3-dimethylphenyl)methyl]-2,2,2-trifluoroethanamine;hydrochloride (CID 19889652) is N-[4,5-dihydro-1H-imidazol-2-yl-(2,3-dimethylphenyl)methyl]-2,2,2-trifluoroethanamine;hydrochloride.
What is the SMILES notation for N-[4,5-dihydro-1H-imidazol-2-yl-(2,3-dimethylphenyl)methyl]-2,2,2-trifluoroethanamine;hydrochloride?
The canonical SMILES for N-[4,5-dihydro-1H-imidazol-2-yl-(2,3-dimethylphenyl)methyl]-2,2,2-trifluoroethanamine;hydrochloride is Cc1cccc(C(NCC(F)(F)F)C2=NCCN2)c1C.Cl.
What is the InChIKey of N-[4,5-dihydro-1H-imidazol-2-yl-(2,3-dimethylphenyl)methyl]-2,2,2-trifluoroethanamine;hydrochloride?
The InChIKey is MJIMWNVFFQTCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3.ClH/c1-9-4-3-5-11(10(9)2)12(13-18-6-7-19-13)20-8-14(15,16)17;/h3-5,12,20H,6-8H2,1-2H3,(H,18,19);1H.
What are the key properties of N-[4,5-dihydro-1H-imidazol-2-yl-(2,3-dimethylphenyl)methyl]-2,2,2-trifluoroethanamine;hydrochloride?
N-[4,5-dihydro-1H-imidazol-2-yl-(2,3-dimethylphenyl)methyl]-2,2,2-trifluoroethanamine;hydrochloride has a molecular weight of 321.77 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dihydro-1H-imidazol-2-yl-(2,3-dimethylphenyl)methyl]-2,2,2-trifluoroethanamine;hydrochloride is sourced from PubChem (CID 19889652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).