1-(4,5-dihydro-1H-imidazol-2-yl)-1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-amine

C14H18F3N3 — CID 57151800

IUPAC1-(4,5-dihydro-1H-imidazol-2-yl)-1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-amine
SMILESCc1cccc(C(N)(CC(F)(F)F)C2=NCCN2)c1C
InChIInChI=1S/C14H18F3N3/c1-9-4-3-5-11(10(9)2)13(18,8-14(15,16)17)12-19-6-7-20-12/h3-5H,6-8,18H2,1-2H3,(H,19,20)
InChIKeyFKPZFJZVVBHSGU-UHFFFAOYSA-N
MW285.31 g/mol
LogP2.41
Rot. Bonds3

About 1-(4,5-dihydro-1H-imidazol-2-yl)-1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-amine

1-(4,5-dihydro-1H-imidazol-2-yl)-1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-amine (PubChem CID 57151800) has the molecular formula C14H18F3N3 and a molecular weight of 285.31 g/mol. Its IUPAC name is 1-(4,5-dihydro-1H-imidazol-2-yl)-1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name1-(4,5-dihydro-1H-imidazol-2-yl)-1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-amine
PubChem CID57151800
Molecular FormulaC14H18F3N3
Molecular Weight285.31 g/mol
Exact Mass285.15
IUPAC Name1-(4,5-dihydro-1H-imidazol-2-yl)-1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-amine
SMILESCc1cccc(C(N)(CC(F)(F)F)C2=NCCN2)c1C
InChIInChI=1S/C14H18F3N3/c1-9-4-3-5-11(10(9)2)13(18,8-14(15,16)17)12-19-6-7-20-12/h3-5H,6-8,18H2,1-2H3,(H,19,20)
InChIKeyFKPZFJZVVBHSGU-UHFFFAOYSA-N
XLogP2.41
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-yl)-1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-yl)-1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-amine (CID 57151800) is 1-(4,5-dihydro-1H-imidazol-2-yl)-1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 1-(4,5-dihydro-1H-imidazol-2-yl)-1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 1-(4,5-dihydro-1H-imidazol-2-yl)-1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-amine is Cc1cccc(C(N)(CC(F)(F)F)C2=NCCN2)c1C.
What is the InChIKey of 1-(4,5-dihydro-1H-imidazol-2-yl)-1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is FKPZFJZVVBHSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3/c1-9-4-3-5-11(10(9)2)13(18,8-14(15,16)17)12-19-6-7-20-12/h3-5H,6-8,18H2,1-2H3,(H,19,20).
What are the key properties of 1-(4,5-dihydro-1H-imidazol-2-yl)-1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-amine?
1-(4,5-dihydro-1H-imidazol-2-yl)-1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 285.31 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydro-1H-imidazol-2-yl)-1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 57151800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).