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

C17H25N3O — CID 79180311

IUPAC1-methoxy-3-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]butan-2-amine
SMILESCOCC(NCc1cnc(C)n1-c1ccccc1)C(C)C
InChIInChI=1S/C17H25N3O/c1-13(2)17(12-21-4)19-11-16-10-18-14(3)20(16)15-8-6-5-7-9-15/h5-10,13,17,19H,11-12H2,1-4H3
InChIKeyWKDZIYQMAQGMPM-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.94
Rot. Bonds7

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

1-methoxy-3-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]butan-2-amine (PubChem CID 79180311) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-methoxy-3-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]butan-2-amine.

Molecular Properties

Compound Name1-methoxy-3-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]butan-2-amine
PubChem CID79180311
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-methoxy-3-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]butan-2-amine
SMILESCOCC(NCc1cnc(C)n1-c1ccccc1)C(C)C
InChIInChI=1S/C17H25N3O/c1-13(2)17(12-21-4)19-11-16-10-18-14(3)20(16)15-8-6-5-7-9-15/h5-10,13,17,19H,11-12H2,1-4H3
InChIKeyWKDZIYQMAQGMPM-UHFFFAOYSA-N
XLogP2.94
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]propan-1-amine
CID 102695833
N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-3-propan-2-yloxypropan-1-amine
CID 79178221
N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-4-methylsulfinylbutan-2-amine
CID 115697782
4-methyl-1-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentan-3-ol
CID 111969454
2-[(2-methyl-3-phenylimidazol-4-yl)methylamino]hex-4-yn-1-ol
CID 126834126
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]ethanamine
CID 119139113
2-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]aniline
CID 79179309
N-[(2-methyl-3-phenylimidazol-4-yl)methyl]prop-2-en-1-amine
CID 79179946
4-bromo-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]aniline
CID 79178871
N-[(2-methyl-3-phenylimidazol-4-yl)methyl]pentan-1-amine
CID 79178650
2-fluoro-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]aniline
CID 79178875
4-iodo-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]aniline
CID 79178654

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]butan-2-amine?
The IUPAC name of 1-methoxy-3-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]butan-2-amine (CID 79180311) is 1-methoxy-3-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]butan-2-amine.
What is the SMILES notation for 1-methoxy-3-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]butan-2-amine?
The canonical SMILES for 1-methoxy-3-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]butan-2-amine is COCC(NCc1cnc(C)n1-c1ccccc1)C(C)C.
What is the InChIKey of 1-methoxy-3-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]butan-2-amine?
The InChIKey is WKDZIYQMAQGMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-13(2)17(12-21-4)19-11-16-10-18-14(3)20(16)15-8-6-5-7-9-15/h5-10,13,17,19H,11-12H2,1-4H3.
What are the key properties of 1-methoxy-3-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]butan-2-amine?
1-methoxy-3-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]butan-2-amine has a molecular weight of 287.41 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]butan-2-amine is sourced from PubChem (CID 79180311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).