1-[3-(difluoromethoxy)phenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine

C13H15F2N3O — CID 119123236

IUPAC1-[3-(difluoromethoxy)phenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine
SMILESCn1cncc1CNCc1cccc(OC(F)F)c1
InChIInChI=1S/C13H15F2N3O/c1-18-9-17-8-11(18)7-16-6-10-3-2-4-12(5-10)19-13(14)15/h2-5,8-9,13,16H,6-7H2,1H3
InChIKeyCXDDJRCYVGXLJL-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.31
Rot. Bonds6

About 1-[3-(difluoromethoxy)phenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine

1-[3-(difluoromethoxy)phenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine (PubChem CID 119123236) has the molecular formula C13H15F2N3O and a molecular weight of 267.28 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)phenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)phenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine
PubChem CID119123236
Molecular FormulaC13H15F2N3O
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name1-[3-(difluoromethoxy)phenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine
SMILESCn1cncc1CNCc1cccc(OC(F)F)c1
InChIInChI=1S/C13H15F2N3O/c1-18-9-17-8-11(18)7-16-6-10-3-2-4-12(5-10)19-13(14)15/h2-5,8-9,13,16H,6-7H2,1H3
InChIKeyCXDDJRCYVGXLJL-UHFFFAOYSA-N
XLogP2.31
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethoxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine
CID 63001902
1-[3-(difluoromethoxy)-4-methoxyphenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine
CID 119109917
N-[(3-methylimidazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 62998807
N-[[3-(difluoromethoxy)phenyl]methyl]hydroxylamine
CID 117281301
N-[(2-methylpyrazol-3-yl)methyl]-1-(3-propan-2-yloxyphenyl)methanamine
CID 55137874
N-[(3-methylimidazol-4-yl)methyl]-2-(3-methylphenoxy)ethanamine
CID 63001060
N-[(3-methylimidazol-4-yl)methyl]-2-phenylethanamine
CID 53397214
1-[2-(difluoromethoxy)phenyl]-N-[(3-methylimidazol-4-yl)methyl]ethanamine
CID 63000114
N-[(3-methylimidazol-4-yl)methyl]-3-phenylpropan-1-amine
CID 63000421
N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-(3-methoxyphenyl)methanamine
CID 122168299
1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]methanamine
CID 39357787
N-[(3-cyclopropylimidazol-4-yl)methyl]-3-(difluoromethoxy)aniline
CID 66163708

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)phenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine?
The IUPAC name of 1-[3-(difluoromethoxy)phenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine (CID 119123236) is 1-[3-(difluoromethoxy)phenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-[3-(difluoromethoxy)phenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-[3-(difluoromethoxy)phenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine is Cn1cncc1CNCc1cccc(OC(F)F)c1.
What is the InChIKey of 1-[3-(difluoromethoxy)phenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine?
The InChIKey is CXDDJRCYVGXLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O/c1-18-9-17-8-11(18)7-16-6-10-3-2-4-12(5-10)19-13(14)15/h2-5,8-9,13,16H,6-7H2,1H3.
What are the key properties of 1-[3-(difluoromethoxy)phenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine?
1-[3-(difluoromethoxy)phenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine has a molecular weight of 267.28 g/mol, XLogP of 2.31, 6 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-[(3-methylimidazol-4-yl)methyl]methanamine is sourced from PubChem (CID 119123236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).