1-[2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-3-methylphenyl]-N-methylmethanamine

C14H17F2N3O — CID 115952206

IUPAC1-[2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-3-methylphenyl]-N-methylmethanamine
SMILESCNCc1cccc(C)c1OCc1nccn1C(F)F
InChIInChI=1S/C14H17F2N3O/c1-10-4-3-5-11(8-17-2)13(10)20-9-12-18-6-7-19(12)14(15)16/h3-7,14,17H,8-9H2,1-2H3
InChIKeyNUOVTGLNACVWOR-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.89
Rot. Bonds6

About 1-[2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-3-methylphenyl]-N-methylmethanamine

1-[2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-3-methylphenyl]-N-methylmethanamine (PubChem CID 115952206) has the molecular formula C14H17F2N3O and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-[2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-3-methylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-3-methylphenyl]-N-methylmethanamine
PubChem CID115952206
Molecular FormulaC14H17F2N3O
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name1-[2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-3-methylphenyl]-N-methylmethanamine
SMILESCNCc1cccc(C)c1OCc1nccn1C(F)F
InChIInChI=1S/C14H17F2N3O/c1-10-4-3-5-11(8-17-2)13(10)20-9-12-18-6-7-19(12)14(15)16/h3-7,14,17H,8-9H2,1-2H3
InChIKeyNUOVTGLNACVWOR-UHFFFAOYSA-N
XLogP2.89
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-5-methylphenyl]-N-methylmethanamine
CID 63323142
N-methyl-1-[3-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine
CID 112608398
[2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-3-ethoxyphenyl]methanamine
CID 60878707
N-methyl-1-[3-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanamine
CID 112608370
1-[3-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 112608705
1-[2-(difluoromethoxy)-3-methylphenyl]-N-methylmethanamine
CID 112608407
1-[3-chloro-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 112608626
1-[2-[(3-fluorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 112608310
1-[2-[(3,4-dichlorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 115952133
1-(difluoromethyl)-2-(methoxymethyl)imidazole
CID 156846999
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-3-[(2-methylphenyl)methyl]guanidine
CID 111360209
N-methyl-1-(3-methyl-2-pentoxyphenyl)methanamine
CID 112608352

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-3-methylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-3-methylphenyl]-N-methylmethanamine (CID 115952206) is 1-[2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-3-methylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-3-methylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-3-methylphenyl]-N-methylmethanamine is CNCc1cccc(C)c1OCc1nccn1C(F)F.
What is the InChIKey of 1-[2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-3-methylphenyl]-N-methylmethanamine?
The InChIKey is NUOVTGLNACVWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O/c1-10-4-3-5-11(8-17-2)13(10)20-9-12-18-6-7-19(12)14(15)16/h3-7,14,17H,8-9H2,1-2H3.
What are the key properties of 1-[2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-3-methylphenyl]-N-methylmethanamine?
1-[2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-3-methylphenyl]-N-methylmethanamine has a molecular weight of 281.31 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-3-methylphenyl]-N-methylmethanamine is sourced from PubChem (CID 115952206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).