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

C10H17F2N3O — CID 115714090

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methoxybutan-2-amine
SMILESCOC(C)C(C)NCc1nccn1C(F)F
InChIInChI=1S/C10H17F2N3O/c1-7(8(2)16-3)14-6-9-13-4-5-15(9)10(11)12/h4-5,7-8,10,14H,6H2,1-3H3
InChIKeyFOXDZIPLORWUMZ-UHFFFAOYSA-N
MW233.26 g/mol
LogP1.79
Rot. Bonds6

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

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methoxybutan-2-amine (PubChem CID 115714090) 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-methoxybutan-2-amine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methoxybutan-2-amine
PubChem CID115714090
Molecular FormulaC10H17F2N3O
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methoxybutan-2-amine
SMILESCOC(C)C(C)NCc1nccn1C(F)F
InChIInChI=1S/C10H17F2N3O/c1-7(8(2)16-3)14-6-9-13-4-5-15(9)10(11)12/h4-5,7-8,10,14H,6H2,1-3H3
InChIKeyFOXDZIPLORWUMZ-UHFFFAOYSA-N
XLogP1.79
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

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Related Compounds

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethylpentan-2-amine
CID 63837939
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]butan-2-amine
CID 43111973
(2S)-2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3-methylbutan-1-ol
CID 79250495
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-ethylsulfanylpropan-2-amine
CID 115660800
1-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]propan-1-amine
CID 115714091
1-(difluoromethyl)-2-(methoxymethyl)imidazole
CID 156846999
2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]butan-1-ol
CID 43416447
(1S)-1-cycloheptyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanamine
CID 81391865
(1S)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-thiophen-2-ylethanamine
CID 81408360
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethoxyaniline
CID 43111998
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-ethylbutan-1-amine
CID 115641650
1-(difluoromethyl)-2-(3-methylbutyl)imidazole
CID 170928418

Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methoxybutan-2-amine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methoxybutan-2-amine (CID 115714090) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methoxybutan-2-amine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methoxybutan-2-amine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methoxybutan-2-amine is COC(C)C(C)NCc1nccn1C(F)F.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methoxybutan-2-amine?
The InChIKey is FOXDZIPLORWUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N3O/c1-7(8(2)16-3)14-6-9-13-4-5-15(9)10(11)12/h4-5,7-8,10,14H,6H2,1-3H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methoxybutan-2-amine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methoxybutan-2-amine has a molecular weight of 233.26 g/mol, XLogP of 1.79, 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]-3-methoxybutan-2-amine is sourced from PubChem (CID 115714090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).