N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-3-yl)methanamine

C11H17F2N3O — CID 54906222

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-3-yl)methanamine
SMILESFC(F)n1ccnc1CNCC1CCCOC1
InChIInChI=1S/C11H17F2N3O/c12-11(13)16-4-3-15-10(16)7-14-6-9-2-1-5-17-8-9/h3-4,9,11,14H,1-2,5-8H2
InChIKeyBCOAMGMJTXZABB-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.79
Rot. Bonds5

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-3-yl)methanamine

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-3-yl)methanamine (PubChem CID 54906222) 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]-1-(oxan-3-yl)methanamine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-3-yl)methanamine
PubChem CID54906222
Molecular FormulaC11H17F2N3O
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-3-yl)methanamine
SMILESFC(F)n1ccnc1CNCC1CCCOC1
InChIInChI=1S/C11H17F2N3O/c12-11(13)16-4-3-15-10(16)7-14-6-9-2-1-5-17-8-9/h3-4,9,11,14H,1-2,5-8H2
InChIKeyBCOAMGMJTXZABB-UHFFFAOYSA-N
XLogP1.79
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-3-yl)methanamine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-3-yl)methanamine (CID 54906222) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-3-yl)methanamine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-3-yl)methanamine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-3-yl)methanamine is FC(F)n1ccnc1CNCC1CCCOC1.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-3-yl)methanamine?
The InChIKey is BCOAMGMJTXZABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3O/c12-11(13)16-4-3-15-10(16)7-14-6-9-2-1-5-17-8-9/h3-4,9,11,14H,1-2,5-8H2.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-3-yl)methanamine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-3-yl)methanamine has a molecular weight of 245.27 g/mol, XLogP of 1.79, 5 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]-1-(oxan-3-yl)methanamine is sourced from PubChem (CID 54906222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).