2-methoxy-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]propan-1-amine

C15H21N3O — CID 102695833

IUPAC2-methoxy-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]propan-1-amine
SMILESCOC(C)CNCc1cnc(C)n1-c1ccccc1
InChIInChI=1S/C15H21N3O/c1-12(19-3)9-16-10-15-11-17-13(2)18(15)14-7-5-4-6-8-14/h4-8,11-12,16H,9-10H2,1-3H3
InChIKeyZJUXYMXVDQJCJR-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.31
Rot. Bonds6

About 2-methoxy-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]propan-1-amine

2-methoxy-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]propan-1-amine (PubChem CID 102695833) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-methoxy-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methoxy-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]propan-1-amine
PubChem CID102695833
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-methoxy-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]propan-1-amine
SMILESCOC(C)CNCc1cnc(C)n1-c1ccccc1
InChIInChI=1S/C15H21N3O/c1-12(19-3)9-16-10-15-11-17-13(2)18(15)14-7-5-4-6-8-14/h4-8,11-12,16H,9-10H2,1-3H3
InChIKeyZJUXYMXVDQJCJR-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 ≤ 500259.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 2-methoxy-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]propan-1-amine (CID 102695833) is 2-methoxy-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-methoxy-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 2-methoxy-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]propan-1-amine is COC(C)CNCc1cnc(C)n1-c1ccccc1.
What is the InChIKey of 2-methoxy-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]propan-1-amine?
The InChIKey is ZJUXYMXVDQJCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-12(19-3)9-16-10-15-11-17-13(2)18(15)14-7-5-4-6-8-14/h4-8,11-12,16H,9-10H2,1-3H3.
What are the key properties of 2-methoxy-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]propan-1-amine?
2-methoxy-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]propan-1-amine has a molecular weight of 259.35 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 2-methoxy-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 102695833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).