N-[[2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]methyl]cyclopropanamine

C15H17F2N3O — CID 60883294

IUPACN-[[2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]methyl]cyclopropanamine
SMILESFC(F)n1ccnc1COc1ccccc1CNC1CC1
InChIInChI=1S/C15H17F2N3O/c16-15(17)20-8-7-18-14(20)10-21-13-4-2-1-3-11(13)9-19-12-5-6-12/h1-4,7-8,12,15,19H,5-6,9-10H2
InChIKeyQELTXAFLRIRAGR-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.11
Rot. Bonds7

About N-[[2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]methyl]cyclopropanamine

N-[[2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]methyl]cyclopropanamine (PubChem CID 60883294) has the molecular formula C15H17F2N3O and a molecular weight of 293.32 g/mol. Its IUPAC name is N-[[2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]methyl]cyclopropanamine
PubChem CID60883294
Molecular FormulaC15H17F2N3O
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC NameN-[[2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]methyl]cyclopropanamine
SMILESFC(F)n1ccnc1COc1ccccc1CNC1CC1
InChIInChI=1S/C15H17F2N3O/c16-15(17)20-8-7-18-14(20)10-21-13-4-2-1-3-11(13)9-19-12-5-6-12/h1-4,7-8,12,15,19H,5-6,9-10H2
InChIKeyQELTXAFLRIRAGR-UHFFFAOYSA-N
XLogP3.11
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 102615167
N-[[2-chloro-6-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 114319361
1-[2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-3-methylphenyl]-N-methylmethanamine
CID 115952206
2-chloro-6-[[1-(difluoromethyl)imidazol-2-yl]methoxy]benzoic acid
CID 114320362
N-[[4-[(2-fluorophenyl)methoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 81250250
[2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-3-ethoxyphenyl]methanamine
CID 60878707
N-[[2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]methyl]cyclopropanamine
CID 63992542
N-[[2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 62443971
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-3-[[2-(trifluoromethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111848224
(3aS,4R,6aS)-2-benzyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 100894082
1-(difluoromethyl)-2-(methoxymethyl)imidazole
CID 156846999
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-ethylaniline
CID 43112046

Frequently Asked Questions

What is the IUPAC name of N-[[2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]methyl]cyclopropanamine (CID 60883294) is N-[[2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]methyl]cyclopropanamine is FC(F)n1ccnc1COc1ccccc1CNC1CC1.
What is the InChIKey of N-[[2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]methyl]cyclopropanamine?
The InChIKey is QELTXAFLRIRAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O/c16-15(17)20-8-7-18-14(20)10-21-13-4-2-1-3-11(13)9-19-12-5-6-12/h1-4,7-8,12,15,19H,5-6,9-10H2.
What are the key properties of N-[[2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]methyl]cyclopropanamine?
N-[[2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]methyl]cyclopropanamine has a molecular weight of 293.32 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 60883294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).