2-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]oxan-4-amine

C17H23N3O — CID 103887886

IUPAC2-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]oxan-4-amine
SMILESCc1ncc(CNC2CCOC(C)C2)n1-c1ccccc1
InChIInChI=1S/C17H23N3O/c1-13-10-15(8-9-21-13)19-12-17-11-18-14(2)20(17)16-6-4-3-5-7-16/h3-7,11,13,15,19H,8-10,12H2,1-2H3
InChIKeyHEHNGISXFXMCNS-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.84
Rot. Bonds4

About 2-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]oxan-4-amine

2-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]oxan-4-amine (PubChem CID 103887886) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]oxan-4-amine.

Molecular Properties

Compound Name2-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]oxan-4-amine
PubChem CID103887886
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]oxan-4-amine
SMILESCc1ncc(CNC2CCOC(C)C2)n1-c1ccccc1
InChIInChI=1S/C17H23N3O/c1-13-10-15(8-9-21-13)19-12-17-11-18-14(2)20(17)16-6-4-3-5-7-16/h3-7,11,13,15,19H,8-10,12H2,1-2H3
InChIKeyHEHNGISXFXMCNS-UHFFFAOYSA-N
XLogP2.84
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]oxan-4-amine?
The IUPAC name of 2-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]oxan-4-amine (CID 103887886) is 2-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]oxan-4-amine.
What is the SMILES notation for 2-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]oxan-4-amine?
The canonical SMILES for 2-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]oxan-4-amine is Cc1ncc(CNC2CCOC(C)C2)n1-c1ccccc1.
What is the InChIKey of 2-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]oxan-4-amine?
The InChIKey is HEHNGISXFXMCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13-10-15(8-9-21-13)19-12-17-11-18-14(2)20(17)16-6-4-3-5-7-16/h3-7,11,13,15,19H,8-10,12H2,1-2H3.
What are the key properties of 2-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]oxan-4-amine?
2-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]oxan-4-amine has a molecular weight of 285.39 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]oxan-4-amine is sourced from PubChem (CID 103887886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).