N-[[1-(difluoromethyl)imidazol-4-yl]methyl]propan-2-amine

C8H13F2N3 — CID 106719465

IUPACN-[[1-(difluoromethyl)imidazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(C(F)F)cn1
InChIInChI=1S/C8H13F2N3/c1-6(2)11-3-7-4-13(5-12-7)8(9)10/h4-6,8,11H,3H2,1-2H3
InChIKeyIVGRWFLVGZNQLF-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.78
Rot. Bonds4

About N-[[1-(difluoromethyl)imidazol-4-yl]methyl]propan-2-amine

N-[[1-(difluoromethyl)imidazol-4-yl]methyl]propan-2-amine (PubChem CID 106719465) has the molecular formula C8H13F2N3 and a molecular weight of 189.21 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-4-yl]methyl]propan-2-amine
PubChem CID106719465
Molecular FormulaC8H13F2N3
Molecular Weight189.21 g/mol
Exact Mass189.11
IUPAC NameN-[[1-(difluoromethyl)imidazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(C(F)F)cn1
InChIInChI=1S/C8H13F2N3/c1-6(2)11-3-7-4-13(5-12-7)8(9)10/h4-6,8,11H,3H2,1-2H3
InChIKeyIVGRWFLVGZNQLF-UHFFFAOYSA-N
XLogP1.78
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2,2-difluoroethyl)imidazol-4-yl]methyl]propan-2-amine
CID 106719477
[1-(difluoromethyl)imidazol-4-yl]methanamine
CID 106718014
N-[[1-(3-methylbutyl)imidazol-4-yl]methyl]propan-2-amine
CID 106719321
N-[[1-(2,6-difluorophenyl)imidazol-4-yl]methyl]propan-2-amine
CID 114203929
N-[(1-tritylimidazol-4-yl)methyl]propan-2-amine
CID 70043389
N-methyl-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide
CID 106719440
N-[[1-(4-methylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine
CID 114204550
N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719343
4-[[4-[(propan-2-ylamino)methyl]imidazol-1-yl]methyl]phenol
CID 106719587
N-[[1-(2-propoxyethyl)imidazol-4-yl]methyl]propan-2-amine
CID 106719368
N-[[1-(2-tert-butylsulfanylethyl)imidazol-4-yl]methyl]propan-2-amine
CID 114271401
N-[[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719500

Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-4-yl]methyl]propan-2-amine (CID 106719465) is N-[[1-(difluoromethyl)imidazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-4-yl]methyl]propan-2-amine is CC(C)NCc1cn(C(F)F)cn1.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-4-yl]methyl]propan-2-amine?
The InChIKey is IVGRWFLVGZNQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3/c1-6(2)11-3-7-4-13(5-12-7)8(9)10/h4-6,8,11H,3H2,1-2H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-4-yl]methyl]propan-2-amine?
N-[[1-(difluoromethyl)imidazol-4-yl]methyl]propan-2-amine has a molecular weight of 189.21 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 106719465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).