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

C9H15F2N3O — CID 43112009

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCc1nccn1C(F)F
InChIInChI=1S/C9H15F2N3O/c1-7(6-15-2)13-5-8-12-3-4-14(8)9(10)11/h3-4,7,9,13H,5-6H2,1-2H3
InChIKeyDEVPSLTYXAEUBZ-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.40
Rot. Bonds6

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

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methoxypropan-2-amine (PubChem CID 43112009) 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]-1-methoxypropan-2-amine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methoxypropan-2-amine
PubChem CID43112009
Molecular FormulaC9H15F2N3O
Molecular Weight219.24 g/mol
Exact Mass219.12
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCc1nccn1C(F)F
InChIInChI=1S/C9H15F2N3O/c1-7(6-15-2)13-5-8-12-3-4-14(8)9(10)11/h3-4,7,9,13H,5-6H2,1-2H3
InChIKeyDEVPSLTYXAEUBZ-UHFFFAOYSA-N
XLogP1.40
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

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Related Compounds

2-(methoxymethyl)-1-methyl-1H-imidazole
CID 19848332
1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]-1H-imidazole
CID 24880291
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
methyl(((1-(propan-2-yl)-1H-imidazol-2-yl)methyl))amine
CID 55266162
rac-(3R,4S)-4-(1H-imidazol-1-yl)oxolan-3-amine
CID 137943672
1-(2-Methoxyethyl)-3-methylimidazolium pentafluoroethyltrifluoroborate
CID 129831382
2-methyl-1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]-1H-imidazole
CID 145874442
1-(2-methoxyethyl)-3-(2-(2-methyl-1H-imidazol-1-yl)ethyl)urea
CID 49670915
1-(2-Propoxyethyl)imidazole
CID 22409062
1H-Imidazole, 1-(2-methoxyethyl)-2-methyl-
CID 22928248

Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methoxypropan-2-amine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methoxypropan-2-amine (CID 43112009) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methoxypropan-2-amine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methoxypropan-2-amine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methoxypropan-2-amine is COCC(C)NCc1nccn1C(F)F.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methoxypropan-2-amine?
The InChIKey is DEVPSLTYXAEUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N3O/c1-7(6-15-2)13-5-8-12-3-4-14(8)9(10)11/h3-4,7,9,13H,5-6H2,1-2H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methoxypropan-2-amine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methoxypropan-2-amine has a molecular weight of 219.24 g/mol, XLogP of 1.40, 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]-1-methoxypropan-2-amine is sourced from PubChem (CID 43112009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).