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

C15H19F2N3O — CID 62955769

IUPAC1-[2-(difluoromethoxy)phenyl]-N-[(1-propylimidazol-2-yl)methyl]methanamine
SMILESCCCn1ccnc1CNCc1ccccc1OC(F)F
InChIInChI=1S/C15H19F2N3O/c1-2-8-20-9-7-19-14(20)11-18-10-12-5-3-4-6-13(12)21-15(16)17/h3-7,9,15,18H,2,8,10-11H2,1H3
InChIKeyGAUVLWDPBLPHLF-UHFFFAOYSA-N
MW295.33 g/mol
LogP3.18
Rot. Bonds8

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

1-[2-(difluoromethoxy)phenyl]-N-[(1-propylimidazol-2-yl)methyl]methanamine (PubChem CID 62955769) has the molecular formula C15H19F2N3O and a molecular weight of 295.33 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-N-[(1-propylimidazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]-N-[(1-propylimidazol-2-yl)methyl]methanamine
PubChem CID62955769
Molecular FormulaC15H19F2N3O
Molecular Weight295.33 g/mol
Exact Mass295.15
IUPAC Name1-[2-(difluoromethoxy)phenyl]-N-[(1-propylimidazol-2-yl)methyl]methanamine
SMILESCCCn1ccnc1CNCc1ccccc1OC(F)F
InChIInChI=1S/C15H19F2N3O/c1-2-8-20-9-7-19-14(20)11-18-10-12-5-3-4-6-13(12)21-15(16)17/h3-7,9,15,18H,2,8,10-11H2,1H3
InChIKeyGAUVLWDPBLPHLF-UHFFFAOYSA-N
XLogP3.18
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethylphenyl)-N-[(1-propylimidazol-2-yl)methyl]methanamine
CID 64680507
1-[2-(difluoromethoxy)phenyl]-N-[(3-propylimidazol-4-yl)methyl]methanamine
CID 66134173
1-naphthalen-1-yl-N-[(1-propylimidazol-2-yl)methyl]methanamine
CID 62956328
1-[2-(difluoromethoxy)phenyl]-2-(1-propylimidazol-2-yl)ethanone
CID 115784838
1-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazole
CID 141394809
2-(2-methoxyphenyl)-N-[(1-propylimidazol-2-yl)methyl]acetamide
CID 91768236
1-(2-ethoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 63001857
N-[(1-propylimidazol-2-yl)methyl]-1-pyridazin-3-ylmethanamine
CID 106895060
N-[[2-[(1-ethylimidazol-2-yl)methoxy]phenyl]methyl]propan-1-amine
CID 62736402
1-(2-methylpyrazol-3-yl)-N-[(1-propylimidazol-2-yl)methyl]methanamine
CID 63302358
2-(4-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 46784408
2-methyl-2-phenyl-N-[(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 62956494

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]-N-[(1-propylimidazol-2-yl)methyl]methanamine?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]-N-[(1-propylimidazol-2-yl)methyl]methanamine (CID 62955769) is 1-[2-(difluoromethoxy)phenyl]-N-[(1-propylimidazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]-N-[(1-propylimidazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]-N-[(1-propylimidazol-2-yl)methyl]methanamine is CCCn1ccnc1CNCc1ccccc1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]-N-[(1-propylimidazol-2-yl)methyl]methanamine?
The InChIKey is GAUVLWDPBLPHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O/c1-2-8-20-9-7-19-14(20)11-18-10-12-5-3-4-6-13(12)21-15(16)17/h3-7,9,15,18H,2,8,10-11H2,1H3.
What are the key properties of 1-[2-(difluoromethoxy)phenyl]-N-[(1-propylimidazol-2-yl)methyl]methanamine?
1-[2-(difluoromethoxy)phenyl]-N-[(1-propylimidazol-2-yl)methyl]methanamine has a molecular weight of 295.33 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenyl]-N-[(1-propylimidazol-2-yl)methyl]methanamine is sourced from PubChem (CID 62955769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).