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

C11H18F3N3O — CID 55181651

IUPAC1-[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-yl]propan-2-amine
SMILESCC(N)Cc1nccn1CCCOCC(F)(F)F
InChIInChI=1S/C11H18F3N3O/c1-9(15)7-10-16-3-5-17(10)4-2-6-18-8-11(12,13)14/h3,5,9H,2,4,6-8,15H2,1H3
InChIKeyFYWBDTKDNZAQRH-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.74
Rot. Bonds7

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

1-[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-yl]propan-2-amine (PubChem CID 55181651) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-yl]propan-2-amine
PubChem CID55181651
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC Name1-[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-yl]propan-2-amine
SMILESCC(N)Cc1nccn1CCCOCC(F)(F)F
InChIInChI=1S/C11H18F3N3O/c1-9(15)7-10-16-3-5-17(10)4-2-6-18-8-11(12,13)14/h3,5,9H,2,4,6-8,15H2,1H3
InChIKeyFYWBDTKDNZAQRH-UHFFFAOYSA-N
XLogP1.74
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.74
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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Related Compounds

1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-amine
CID 165473463
1-(1-propylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103215835
2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-yl]methyl]ethanamine
CID 66402094
1-(1-octylimidazol-2-yl)propan-2-amine
CID 63096350
(2R)-1-(1-ethylimidazol-2-yl)propan-2-amine
CID 92763393
1-[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-4-yl]propan-2-amine
CID 106721209
1-[1-[2-(4-bromophenoxy)ethyl]imidazol-2-yl]propan-2-amine
CID 63095826
N-propyl-1-(1-propylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103215840
1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]propan-2-amine
CID 106721198
1-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]propan-2-amine
CID 63095821
N-ethyl-1-(1-ethylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103215787
N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-2-yl]methyl]propan-2-amine
CID 66401408

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-yl]propan-2-amine?
The IUPAC name of 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-yl]propan-2-amine (CID 55181651) is 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-yl]propan-2-amine.
What is the SMILES notation for 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-yl]propan-2-amine?
The canonical SMILES for 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-yl]propan-2-amine is CC(N)Cc1nccn1CCCOCC(F)(F)F.
What is the InChIKey of 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-yl]propan-2-amine?
The InChIKey is FYWBDTKDNZAQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c1-9(15)7-10-16-3-5-17(10)4-2-6-18-8-11(12,13)14/h3,5,9H,2,4,6-8,15H2,1H3.
What are the key properties of 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-yl]propan-2-amine?
1-[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-yl]propan-2-amine has a molecular weight of 265.28 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-yl]propan-2-amine is sourced from PubChem (CID 55181651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).