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

C11H17F2N3O — CID 54917026

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(oxolan-2-yl)ethanamine
SMILESFC(F)n1ccnc1CNCCC1CCCO1
InChIInChI=1S/C11H17F2N3O/c12-11(13)16-6-5-15-10(16)8-14-4-3-9-2-1-7-17-9/h5-6,9,11,14H,1-4,7-8H2
InChIKeyDFDSFGPDRFSZSU-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.94
Rot. Bonds6

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

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(oxolan-2-yl)ethanamine (PubChem CID 54917026) has the molecular formula C11H17F2N3O and a molecular weight of 245.27 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(oxolan-2-yl)ethanamine
PubChem CID54917026
Molecular FormulaC11H17F2N3O
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(oxolan-2-yl)ethanamine
SMILESFC(F)n1ccnc1CNCCC1CCCO1
InChIInChI=1S/C11H17F2N3O/c12-11(13)16-6-5-15-10(16)8-14-4-3-9-2-1-7-17-9/h5-6,9,11,14H,1-4,7-8H2
InChIKeyDFDSFGPDRFSZSU-UHFFFAOYSA-N
XLogP1.94
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.94
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-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methoxypropan-1-amine
CID 43090510
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethoxypropan-1-amine
CID 43111961
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxolan-2-yl)methanamine
CID 43111975
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxolan-2-yl)ethanamine
CID 43534058
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]oxan-4-amine
CID 43610158
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-3-yl)methanamine
CID 54906222
N-(2-imidazol-1-ylethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 54962286
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-2-yl)methanamine
CID 55014615
N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]methyl]propan-1-amine
CID 55048427
N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-yl]methyl]ethanamine
CID 55048803
2-[[1-(Difluoromethyl)imidazol-2-yl]methylamino]cyclohexan-1-ol
CID 55063615
1-[1-[3-(2,2,2-Trifluoroethoxy)propyl]imidazol-2-yl]propan-2-amine
CID 55181651

Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(oxolan-2-yl)ethanamine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(oxolan-2-yl)ethanamine (CID 54917026) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(oxolan-2-yl)ethanamine is FC(F)n1ccnc1CNCCC1CCCO1.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(oxolan-2-yl)ethanamine?
The InChIKey is DFDSFGPDRFSZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3O/c12-11(13)16-6-5-15-10(16)8-14-4-3-9-2-1-7-17-9/h5-6,9,11,14H,1-4,7-8H2.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(oxolan-2-yl)ethanamine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(oxolan-2-yl)ethanamine has a molecular weight of 245.27 g/mol, XLogP of 1.94, 6 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-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 54917026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).