1-[3-(difluoromethoxy)phenyl]-N-methyl-1-(1-methylimidazol-2-yl)methanamine

C13H15F2N3O — CID 61316127

IUPAC1-[3-(difluoromethoxy)phenyl]-N-methyl-1-(1-methylimidazol-2-yl)methanamine
SMILESCNC(c1cccc(OC(F)F)c1)c1nccn1C
InChIInChI=1S/C13H15F2N3O/c1-16-11(12-17-6-7-18(12)2)9-4-3-5-10(8-9)19-13(14)15/h3-8,11,13,16H,1-2H3
InChIKeyHTJHGYFETQXTJT-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.33
Rot. Bonds5

About 1-[3-(difluoromethoxy)phenyl]-N-methyl-1-(1-methylimidazol-2-yl)methanamine

1-[3-(difluoromethoxy)phenyl]-N-methyl-1-(1-methylimidazol-2-yl)methanamine (PubChem CID 61316127) has the molecular formula C13H15F2N3O and a molecular weight of 267.28 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)phenyl]-N-methyl-1-(1-methylimidazol-2-yl)methanamine.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)phenyl]-N-methyl-1-(1-methylimidazol-2-yl)methanamine
PubChem CID61316127
Molecular FormulaC13H15F2N3O
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name1-[3-(difluoromethoxy)phenyl]-N-methyl-1-(1-methylimidazol-2-yl)methanamine
SMILESCNC(c1cccc(OC(F)F)c1)c1nccn1C
InChIInChI=1S/C13H15F2N3O/c1-16-11(12-17-6-7-18(12)2)9-4-3-5-10(8-9)19-13(14)15/h3-8,11,13,16H,1-2H3
InChIKeyHTJHGYFETQXTJT-UHFFFAOYSA-N
XLogP2.33
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethoxy)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 25324448
1-(3-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 115811785
N-methyl-1-(3-propoxyphenyl)-1-(1-propylimidazol-2-yl)methanamine
CID 62919527
1-[3-(difluoromethoxy)phenyl]-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018727
1-(3-methoxy-4-methylphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 61316123
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-phenoxypropanamide
CID 47014676
N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylacetamide
CID 40720270
2-(3-fluorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25351909
1-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[(1S)-1-phenylethyl]urea
CID 36515644
1-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[(1R)-1-phenylethyl]urea
CID 36515652
1-[3-(difluoromethoxy)phenyl]-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 105038760
N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-pyridin-3-yloxyacetamide
CID 94809705

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)phenyl]-N-methyl-1-(1-methylimidazol-2-yl)methanamine?
The IUPAC name of 1-[3-(difluoromethoxy)phenyl]-N-methyl-1-(1-methylimidazol-2-yl)methanamine (CID 61316127) is 1-[3-(difluoromethoxy)phenyl]-N-methyl-1-(1-methylimidazol-2-yl)methanamine.
What is the SMILES notation for 1-[3-(difluoromethoxy)phenyl]-N-methyl-1-(1-methylimidazol-2-yl)methanamine?
The canonical SMILES for 1-[3-(difluoromethoxy)phenyl]-N-methyl-1-(1-methylimidazol-2-yl)methanamine is CNC(c1cccc(OC(F)F)c1)c1nccn1C.
What is the InChIKey of 1-[3-(difluoromethoxy)phenyl]-N-methyl-1-(1-methylimidazol-2-yl)methanamine?
The InChIKey is HTJHGYFETQXTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O/c1-16-11(12-17-6-7-18(12)2)9-4-3-5-10(8-9)19-13(14)15/h3-8,11,13,16H,1-2H3.
What are the key properties of 1-[3-(difluoromethoxy)phenyl]-N-methyl-1-(1-methylimidazol-2-yl)methanamine?
1-[3-(difluoromethoxy)phenyl]-N-methyl-1-(1-methylimidazol-2-yl)methanamine has a molecular weight of 267.28 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)phenyl]-N-methyl-1-(1-methylimidazol-2-yl)methanamine is sourced from PubChem (CID 61316127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).