2-methyl-N-[[2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-4-yl]methyl]propan-1-amine

C14H24F3N3O — CID 65172339

IUPAC2-methyl-N-[[2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-4-yl]methyl]propan-1-amine
SMILESCc1ncc(CNCC(C)C)n1CCCOCC(F)(F)F
InChIInChI=1S/C14H24F3N3O/c1-11(2)7-18-8-13-9-19-12(3)20(13)5-4-6-21-10-14(15,16)17/h9,11,18H,4-8,10H2,1-3H3
InChIKeyRGRHVFHWTOPWDV-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.91
Rot. Bonds9

About 2-methyl-N-[[2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-4-yl]methyl]propan-1-amine

2-methyl-N-[[2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-4-yl]methyl]propan-1-amine (PubChem CID 65172339) has the molecular formula C14H24F3N3O and a molecular weight of 307.36 g/mol. Its IUPAC name is 2-methyl-N-[[2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-4-yl]methyl]propan-1-amine
PubChem CID65172339
Molecular FormulaC14H24F3N3O
Molecular Weight307.36 g/mol
Exact Mass307.19
IUPAC Name2-methyl-N-[[2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-4-yl]methyl]propan-1-amine
SMILESCc1ncc(CNCC(C)C)n1CCCOCC(F)(F)F
InChIInChI=1S/C14H24F3N3O/c1-11(2)7-18-8-13-9-19-12(3)20(13)5-4-6-21-10-14(15,16)17/h9,11,18H,4-8,10H2,1-3H3
InChIKeyRGRHVFHWTOPWDV-UHFFFAOYSA-N
XLogP2.91
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-4-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-4-yl]methyl]propan-1-amine (CID 65172339) is 2-methyl-N-[[2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-4-yl]methyl]propan-1-amine is Cc1ncc(CNCC(C)C)n1CCCOCC(F)(F)F.
What is the InChIKey of 2-methyl-N-[[2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-4-yl]methyl]propan-1-amine?
The InChIKey is RGRHVFHWTOPWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3O/c1-11(2)7-18-8-13-9-19-12(3)20(13)5-4-6-21-10-14(15,16)17/h9,11,18H,4-8,10H2,1-3H3.
What are the key properties of 2-methyl-N-[[2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-4-yl]methyl]propan-1-amine?
2-methyl-N-[[2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-4-yl]methyl]propan-1-amine has a molecular weight of 307.36 g/mol, XLogP of 2.91, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 65172339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).