[2-[[1-(difluoromethyl)imidazol-2-yl]methoxymethyl]cyclohexyl]methanamine

C13H21F2N3O — CID 106938434

IUPAC[2-[[1-(difluoromethyl)imidazol-2-yl]methoxymethyl]cyclohexyl]methanamine
SMILESNCC1CCCCC1COCc1nccn1C(F)F
InChIInChI=1S/C13H21F2N3O/c14-13(15)18-6-5-17-12(18)9-19-8-11-4-2-1-3-10(11)7-16/h5-6,10-11,13H,1-4,7-9,16H2
InChIKeyRMNWYTPGWMUGBF-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.56
Rot. Bonds6

About [2-[[1-(difluoromethyl)imidazol-2-yl]methoxymethyl]cyclohexyl]methanamine

[2-[[1-(difluoromethyl)imidazol-2-yl]methoxymethyl]cyclohexyl]methanamine (PubChem CID 106938434) has the molecular formula C13H21F2N3O and a molecular weight of 273.33 g/mol. Its IUPAC name is [2-[[1-(difluoromethyl)imidazol-2-yl]methoxymethyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[2-[[1-(difluoromethyl)imidazol-2-yl]methoxymethyl]cyclohexyl]methanamine
PubChem CID106938434
Molecular FormulaC13H21F2N3O
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name[2-[[1-(difluoromethyl)imidazol-2-yl]methoxymethyl]cyclohexyl]methanamine
SMILESNCC1CCCCC1COCc1nccn1C(F)F
InChIInChI=1S/C13H21F2N3O/c14-13(15)18-6-5-17-12(18)9-19-8-11-4-2-1-3-10(11)7-16/h5-6,10-11,13H,1-4,7-9,16H2
InChIKeyRMNWYTPGWMUGBF-UHFFFAOYSA-N
XLogP2.56
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(1-ethylimidazol-2-yl)methoxymethyl]cyclopentyl]methanamine
CID 106938478
1-(difluoromethyl)-2-(pyrrolidin-3-ylmethoxymethyl)imidazole
CID 106938088
[2-[2-(1-methylimidazol-2-yl)ethoxymethyl]cyclopentyl]methanamine
CID 114528585
1-(difluoromethyl)-2-(methoxymethyl)imidazole
CID 156846999
[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxymethyl)cyclohexyl]methanamine
CID 107078207
[2-[(3-methyl-2-pyridinyl)methoxymethyl]cyclohexyl]methanamine
CID 112650781
[2-(pyrazolo[1,5-a]pyrazin-4-yloxymethyl)cyclohexyl]methanamine
CID 104733552
[5-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-2-pyridinyl]methanamine
CID 79788216
(1S)-1-cycloheptyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanamine
CID 81391865
5-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-2,3-dihydro-1H-inden-1-amine
CID 107683199
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-4-carboxamide
CID 167843932
2-cyclobutyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanamine
CID 115690184

Frequently Asked Questions

What is the IUPAC name of [2-[[1-(difluoromethyl)imidazol-2-yl]methoxymethyl]cyclohexyl]methanamine?
The IUPAC name of [2-[[1-(difluoromethyl)imidazol-2-yl]methoxymethyl]cyclohexyl]methanamine (CID 106938434) is [2-[[1-(difluoromethyl)imidazol-2-yl]methoxymethyl]cyclohexyl]methanamine.
What is the SMILES notation for [2-[[1-(difluoromethyl)imidazol-2-yl]methoxymethyl]cyclohexyl]methanamine?
The canonical SMILES for [2-[[1-(difluoromethyl)imidazol-2-yl]methoxymethyl]cyclohexyl]methanamine is NCC1CCCCC1COCc1nccn1C(F)F.
What is the InChIKey of [2-[[1-(difluoromethyl)imidazol-2-yl]methoxymethyl]cyclohexyl]methanamine?
The InChIKey is RMNWYTPGWMUGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2N3O/c14-13(15)18-6-5-17-12(18)9-19-8-11-4-2-1-3-10(11)7-16/h5-6,10-11,13H,1-4,7-9,16H2.
What are the key properties of [2-[[1-(difluoromethyl)imidazol-2-yl]methoxymethyl]cyclohexyl]methanamine?
[2-[[1-(difluoromethyl)imidazol-2-yl]methoxymethyl]cyclohexyl]methanamine has a molecular weight of 273.33 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[1-(difluoromethyl)imidazol-2-yl]methoxymethyl]cyclohexyl]methanamine is sourced from PubChem (CID 106938434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).