N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-ethoxyethanamine

C9H15F2N3O — CID 43591014

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-ethoxyethanamine
SMILESCCOCCNCc1nccn1C(F)F
InChIInChI=1S/C9H15F2N3O/c1-2-15-6-4-12-7-8-13-3-5-14(8)9(10)11/h3,5,9,12H,2,4,6-7H2,1H3
InChIKeyMOVXSBKLSAVKFE-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.40
Rot. Bonds7

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-ethoxyethanamine

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-ethoxyethanamine (PubChem CID 43591014) has the molecular formula C9H15F2N3O and a molecular weight of 219.24 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-ethoxyethanamine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-ethoxyethanamine
PubChem CID43591014
Molecular FormulaC9H15F2N3O
Molecular Weight219.24 g/mol
Exact Mass219.12
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-ethoxyethanamine
SMILESCCOCCNCc1nccn1C(F)F
InChIInChI=1S/C9H15F2N3O/c1-2-15-6-4-12-7-8-13-3-5-14(8)9(10)11/h3,5,9,12H,2,4,6-7H2,1H3
InChIKeyMOVXSBKLSAVKFE-UHFFFAOYSA-N
XLogP1.40
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.40
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-(2-methoxyethyl)-1H-imidazole
CID 14366840
2-(ethoxymethyl)-1H-imidazole
CID 15043882
2-(Methoxymethyl)-1H-imidazole
CID 15043884
4-(1H-imidazol-2-ylmethyl)morpholine
CID 272246
2-(methoxymethyl)-1-methyl-1H-imidazole
CID 19848332
(NE)-N-[[1-[2-(2-fluoroethoxy)ethyl]-3-methylimidazol-3-ium-2-yl]methylidene]hydroxylamine chloride
CID 136002061
1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]-1H-imidazole
CID 24880291
2-{[(1-methyl-1H-imidazol-2-yl)methyl]amino}ethanol
CID 28063981
4-[2-(2-Methylimidazol-1-yl)ethyl]morpholine
CID 56798444
Ethyl 2-[2-(trifluoromethyl)imidazol-1-yl]acetate
CID 12699993
{[1-(difluoromethyl)-1H-imidazol-2-yl]methyl}(methyl)amine
CID 16228773
1-(2-Methoxyethyl)-3-methylimidazolium pentafluoroethyltrifluoroborate
CID 129831382

Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-ethoxyethanamine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-ethoxyethanamine (CID 43591014) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-ethoxyethanamine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-ethoxyethanamine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-ethoxyethanamine is CCOCCNCc1nccn1C(F)F.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-ethoxyethanamine?
The InChIKey is MOVXSBKLSAVKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N3O/c1-2-15-6-4-12-7-8-13-3-5-14(8)9(10)11/h3,5,9,12H,2,4,6-7H2,1H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-ethoxyethanamine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-ethoxyethanamine has a molecular weight of 219.24 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-ethoxyethanamine is sourced from PubChem (CID 43591014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).