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

C11H18F3N3O — CID 66151819

IUPACN-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cncn1CCOCC(F)(F)F
InChIInChI=1S/C11H18F3N3O/c1-9(2)16-6-10-5-15-8-17(10)3-4-18-7-11(12,13)14/h5,8-9,16H,3-4,6-7H2,1-2H3
InChIKeyAMSRPCVEWQZKCL-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.96
Rot. Bonds7

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

N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]propan-2-amine (PubChem CID 66151819) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]propan-2-amine
PubChem CID66151819
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC NameN-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cncn1CCOCC(F)(F)F
InChIInChI=1S/C11H18F3N3O/c1-9(2)16-6-10-5-15-8-17(10)3-4-18-7-11(12,13)14/h5,8-9,16H,3-4,6-7H2,1-2H3
InChIKeyAMSRPCVEWQZKCL-UHFFFAOYSA-N
XLogP1.96
TPSA39.08 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 ≤ 51.96
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

N-[[3-(3-methoxypropyl)imidazol-4-yl]methyl]propan-2-amine
CID 66146724
N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine
CID 66118230
N-[[3-(2-cyclohexyloxyethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66151207
N-[[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]methyl]propan-2-amine
CID 106294312
1-(3-propylimidazol-4-yl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 82712244
N-[[3-(2-piperidin-1-ylethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66152169
N-[[3-(4,4,4-trifluorobutan-2-yl)imidazol-4-yl]methyl]propan-2-amine
CID 114129927
N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-2-yl]methyl]propan-2-amine
CID 66401408
4-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]butanamide
CID 66146111
N-[[3-[2-(1-methylpyrazol-3-yl)ethyl]imidazol-4-yl]methyl]propan-2-amine
CID 106106680
N-[[3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methyl]propan-2-amine
CID 80686896
N-[[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methyl]propan-2-amine
CID 114541560

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]propan-2-amine (CID 66151819) is N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]propan-2-amine is CC(C)NCc1cncn1CCOCC(F)(F)F.
What is the InChIKey of N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]propan-2-amine?
The InChIKey is AMSRPCVEWQZKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c1-9(2)16-6-10-5-15-8-17(10)3-4-18-7-11(12,13)14/h5,8-9,16H,3-4,6-7H2,1-2H3.
What are the key properties of N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]propan-2-amine?
N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]propan-2-amine has a molecular weight of 265.28 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 66151819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).