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

C13H22F3N3O — CID 65171670

IUPAC2-methyl-N-[[2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]propan-2-amine
SMILESCc1ncc(CNC(C)(C)C)n1CCOCC(F)(F)F
InChIInChI=1S/C13H22F3N3O/c1-10-17-7-11(8-18-12(2,3)4)19(10)5-6-20-9-13(14,15)16/h7,18H,5-6,8-9H2,1-4H3
InChIKeyFQFNDKQWTDDDMJ-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.66
Rot. Bonds6

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

2-methyl-N-[[2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]propan-2-amine (PubChem CID 65171670) has the molecular formula C13H22F3N3O and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-methyl-N-[[2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]propan-2-amine
PubChem CID65171670
Molecular FormulaC13H22F3N3O
Molecular Weight293.33 g/mol
Exact Mass293.17
IUPAC Name2-methyl-N-[[2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]propan-2-amine
SMILESCc1ncc(CNC(C)(C)C)n1CCOCC(F)(F)F
InChIInChI=1S/C13H22F3N3O/c1-10-17-7-11(8-18-12(2,3)4)19(10)5-6-20-9-13(14,15)16/h7,18H,5-6,8-9H2,1-4H3
InChIKeyFQFNDKQWTDDDMJ-UHFFFAOYSA-N
XLogP2.66
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.66
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-isobutyl-N'-{2-[1-(2-methoxyethyl)-5-methyl-1H-imidazol-2-yl]ethyl}urea
CID 91923946
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CID 115405646
1-(2-Methoxyethyl)-5-methyl-2-(pyrrolidin-3-YL)-1H-imidazole
CID 86820584
2-[1-(2-Methoxyethyl)-5-methyl-1H-imidazol-2-YL]ethan-1-amine
CID 86820595
4-[(3-Propan-2-ylimidazol-4-yl)methyl]-2-(trifluoromethyl)morpholine
CID 56864764
(2S)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(trifluoromethyl)morpholine
CID 95553389
N-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylbutan-2-amine
CID 119123822
trans-(1R,2R)-2-(difluoromethoxy)-N-[(3-propan-2-ylimidazol-4-yl)methyl]cyclohexan-1-amine
CID 138000236
(2S)-N-[(1-ethylimidazol-4-yl)methyl]-3-methoxybutan-2-amine
CID 138020874
5-[[Bis(2-methoxyethyl)amino]methyl]-2-methylimidazole-1-sulfinyl fluoride
CID 53721601
4-[[Bis(2-methoxyethyl)amino]methyl]-2-methylimidazole-1-sulfinyl fluoride
CID 54343647
N-methyl-1-[1-methyl-2-(trifluoromethyl)imidazol-4-yl]methanamine
CID 84014508

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]propan-2-amine (CID 65171670) is 2-methyl-N-[[2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]propan-2-amine is Cc1ncc(CNC(C)(C)C)n1CCOCC(F)(F)F.
What is the InChIKey of 2-methyl-N-[[2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]propan-2-amine?
The InChIKey is FQFNDKQWTDDDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3O/c1-10-17-7-11(8-18-12(2,3)4)19(10)5-6-20-9-13(14,15)16/h7,18H,5-6,8-9H2,1-4H3.
What are the key properties of 2-methyl-N-[[2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]propan-2-amine?
2-methyl-N-[[2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]propan-2-amine has a molecular weight of 293.33 g/mol, XLogP of 2.66, 6 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-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 65171670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).