1-[2-(difluoromethoxy)phenyl]-N-[(3-propylimidazol-4-yl)methyl]methanamine

C15H19F2N3O — CID 66134173

IUPAC1-[2-(difluoromethoxy)phenyl]-N-[(3-propylimidazol-4-yl)methyl]methanamine
SMILESCCCn1cncc1CNCc1ccccc1OC(F)F
InChIInChI=1S/C15H19F2N3O/c1-2-7-20-11-19-10-13(20)9-18-8-12-5-3-4-6-14(12)21-15(16)17/h3-6,10-11,15,18H,2,7-9H2,1H3
InChIKeyPSCWEAQXWFPHSR-UHFFFAOYSA-N
MW295.33 g/mol
LogP3.18
Rot. Bonds8

About 1-[2-(difluoromethoxy)phenyl]-N-[(3-propylimidazol-4-yl)methyl]methanamine

1-[2-(difluoromethoxy)phenyl]-N-[(3-propylimidazol-4-yl)methyl]methanamine (PubChem CID 66134173) has the molecular formula C15H19F2N3O and a molecular weight of 295.33 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-N-[(3-propylimidazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]-N-[(3-propylimidazol-4-yl)methyl]methanamine
PubChem CID66134173
Molecular FormulaC15H19F2N3O
Molecular Weight295.33 g/mol
Exact Mass295.15
IUPAC Name1-[2-(difluoromethoxy)phenyl]-N-[(3-propylimidazol-4-yl)methyl]methanamine
SMILESCCCn1cncc1CNCc1ccccc1OC(F)F
InChIInChI=1S/C15H19F2N3O/c1-2-7-20-11-19-10-13(20)9-18-8-12-5-3-4-6-14(12)21-15(16)17/h3-6,10-11,15,18H,2,7-9H2,1H3
InChIKeyPSCWEAQXWFPHSR-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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Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]-N-[(3-propylimidazol-4-yl)methyl]methanamine?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]-N-[(3-propylimidazol-4-yl)methyl]methanamine (CID 66134173) is 1-[2-(difluoromethoxy)phenyl]-N-[(3-propylimidazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]-N-[(3-propylimidazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]-N-[(3-propylimidazol-4-yl)methyl]methanamine is CCCn1cncc1CNCc1ccccc1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]-N-[(3-propylimidazol-4-yl)methyl]methanamine?
The InChIKey is PSCWEAQXWFPHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O/c1-2-7-20-11-19-10-13(20)9-18-8-12-5-3-4-6-14(12)21-15(16)17/h3-6,10-11,15,18H,2,7-9H2,1H3.
What are the key properties of 1-[2-(difluoromethoxy)phenyl]-N-[(3-propylimidazol-4-yl)methyl]methanamine?
1-[2-(difluoromethoxy)phenyl]-N-[(3-propylimidazol-4-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-[(3-propylimidazol-4-yl)methyl]methanamine is sourced from PubChem (CID 66134173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).