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

C10H17F2N3O — CID 43111961

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethoxypropan-1-amine
SMILESCCOCCCNCc1nccn1C(F)F
InChIInChI=1S/C10H17F2N3O/c1-2-16-7-3-4-13-8-9-14-5-6-15(9)10(11)12/h5-6,10,13H,2-4,7-8H2,1H3
InChIKeyNMUYKAFVQGLBIT-UHFFFAOYSA-N
MW233.26 g/mol
LogP1.79
Rot. Bonds8

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

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethoxypropan-1-amine (PubChem CID 43111961) has the molecular formula C10H17F2N3O and a molecular weight of 233.26 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethoxypropan-1-amine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethoxypropan-1-amine
PubChem CID43111961
Molecular FormulaC10H17F2N3O
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethoxypropan-1-amine
SMILESCCOCCCNCc1nccn1C(F)F
InChIInChI=1S/C10H17F2N3O/c1-2-16-7-3-4-13-8-9-14-5-6-15(9)10(11)12/h5-6,10,13H,2-4,7-8H2,1H3
InChIKeyNMUYKAFVQGLBIT-UHFFFAOYSA-N
XLogP1.79
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 51.79
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

dimethyl-[(2R)-4-(1-methylimidazol-2-yl)oxybutan-2-yl]azanium
CID 78225999
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
1-(Oxan-4-yl)-2-(trifluoromethyl)imidazole
CID 71665286
{[1-(difluoromethyl)-1H-imidazol-2-yl]methyl}(methyl)amine
CID 16228773
3-(2-(trifluoromethyl)-1H-imidazol-1-yl)propan-1-amine
CID 82558903
1-(1-Ethoxyethyl)-2-methylimidazole
CID 14006520
3-(2,3-Dimethylimidazol-3-ium-1-yl)propan-1-amine
CID 59888515
1-Propoxymethyl-2-methylimidazole
CID 86063796
1-(3-Methoxypropyl)-3-methylimidazolium chloride
CID 87942526
2-(1,3-dimethylimidazol-1-ium-2-yl)ethyl N-methylcarbamate
CID 852477
methyl[3-(1-propyl-1H-imidazol-2-yl)propyl]amine
CID 64504195

Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethoxypropan-1-amine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethoxypropan-1-amine (CID 43111961) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethoxypropan-1-amine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethoxypropan-1-amine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethoxypropan-1-amine is CCOCCCNCc1nccn1C(F)F.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethoxypropan-1-amine?
The InChIKey is NMUYKAFVQGLBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N3O/c1-2-16-7-3-4-13-8-9-14-5-6-15(9)10(11)12/h5-6,10,13H,2-4,7-8H2,1H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethoxypropan-1-amine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethoxypropan-1-amine has a molecular weight of 233.26 g/mol, XLogP of 1.79, 8 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-ethoxypropan-1-amine is sourced from PubChem (CID 43111961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).