N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methoxypropan-1-amine

C9H15F2N3O — CID 43090510

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methoxypropan-1-amine
SMILESCOCCCNCc1nccn1C(F)F
InChIInChI=1S/C9H15F2N3O/c1-15-6-2-3-12-7-8-13-4-5-14(8)9(10)11/h4-5,9,12H,2-3,6-7H2,1H3
InChIKeyVGDDZNPLYKZEJN-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.40
Rot. Bonds7

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methoxypropan-1-amine

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methoxypropan-1-amine (PubChem CID 43090510) 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]-3-methoxypropan-1-amine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methoxypropan-1-amine
PubChem CID43090510
Molecular FormulaC9H15F2N3O
Molecular Weight219.24 g/mol
Exact Mass219.12
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methoxypropan-1-amine
SMILESCOCCCNCc1nccn1C(F)F
InChIInChI=1S/C9H15F2N3O/c1-15-6-2-3-12-7-8-13-4-5-14(8)9(10)11/h4-5,9,12H,2-3,6-7H2,1H3
InChIKeyVGDDZNPLYKZEJN-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'}

Analyze N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methoxypropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Ethynyl-2-(3-methoxyprop-1-ynyl)imidazole
CID 12130697
2-(1-methyl-1H-imidazol-2-yl)ethyl methylcarbamate
CID 852443
dimethyl-[(2R)-4-(1-methylimidazol-2-yl)oxybutan-2-yl]azanium
CID 78225999
4-(2-methyl-1H-imidazol-1-yl)butan-1-amine
CID 4379476
methyl[3-(2-methyl-1H-imidazol-1-yl)propyl]amine
CID 23004664
3-[(1-Methylimidazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 53615638
Ethylmethylimidazolium trifluoroacetate
CID 66717949
1-(Oxan-4-yl)-2-(trifluoromethyl)imidazole
CID 71665286
2-{[(1-methyl-1H-imidazol-2-yl)methyl]amino}ethanol
CID 28063981
{[1-(difluoromethyl)-1H-imidazol-2-yl]methyl}(methyl)amine
CID 16228773
2,2,2-trifluoro-1-(1-methyl-1H-imidazol-2-yl)ethan-1-amine
CID 16641497
(1-(2,2,2-trifluoroethyl)-1H-imidazol-2-yl)methanamine
CID 50989753

Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methoxypropan-1-amine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methoxypropan-1-amine (CID 43090510) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methoxypropan-1-amine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methoxypropan-1-amine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methoxypropan-1-amine is COCCCNCc1nccn1C(F)F.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methoxypropan-1-amine?
The InChIKey is VGDDZNPLYKZEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N3O/c1-15-6-2-3-12-7-8-13-4-5-14(8)9(10)11/h4-5,9,12H,2-3,6-7H2,1H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methoxypropan-1-amine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methoxypropan-1-amine 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]-3-methoxypropan-1-amine is sourced from PubChem (CID 43090510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).