N-methyl-N-phenylmethoxy-1-(1-propan-2-ylimidazol-2-yl)methanamine

C15H21N3O — CID 86781435

IUPACN-methyl-N-phenylmethoxy-1-(1-propan-2-ylimidazol-2-yl)methanamine
SMILESCC(C)n1ccnc1CN(C)OCc1ccccc1
InChIInChI=1S/C15H21N3O/c1-13(2)18-10-9-16-15(18)11-17(3)19-12-14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3
InChIKeyZSGUTEVZOQTCPX-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.03
Rot. Bonds6

About N-methyl-N-phenylmethoxy-1-(1-propan-2-ylimidazol-2-yl)methanamine

N-methyl-N-phenylmethoxy-1-(1-propan-2-ylimidazol-2-yl)methanamine (PubChem CID 86781435) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-methyl-N-phenylmethoxy-1-(1-propan-2-ylimidazol-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-N-phenylmethoxy-1-(1-propan-2-ylimidazol-2-yl)methanamine
PubChem CID86781435
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-methyl-N-phenylmethoxy-1-(1-propan-2-ylimidazol-2-yl)methanamine
SMILESCC(C)n1ccnc1CN(C)OCc1ccccc1
InChIInChI=1S/C15H21N3O/c1-13(2)18-10-9-16-15(18)11-17(3)19-12-14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3
InChIKeyZSGUTEVZOQTCPX-UHFFFAOYSA-N
XLogP3.03
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-methyl-N-phenylmethoxy-1-(1-propan-2-ylimidazol-2-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenylmethoxy-1-(1-propan-2-ylimidazol-2-yl)methanamine?
The IUPAC name of N-methyl-N-phenylmethoxy-1-(1-propan-2-ylimidazol-2-yl)methanamine (CID 86781435) is N-methyl-N-phenylmethoxy-1-(1-propan-2-ylimidazol-2-yl)methanamine.
What is the SMILES notation for N-methyl-N-phenylmethoxy-1-(1-propan-2-ylimidazol-2-yl)methanamine?
The canonical SMILES for N-methyl-N-phenylmethoxy-1-(1-propan-2-ylimidazol-2-yl)methanamine is CC(C)n1ccnc1CN(C)OCc1ccccc1.
What is the InChIKey of N-methyl-N-phenylmethoxy-1-(1-propan-2-ylimidazol-2-yl)methanamine?
The InChIKey is ZSGUTEVZOQTCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-13(2)18-10-9-16-15(18)11-17(3)19-12-14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3.
What are the key properties of N-methyl-N-phenylmethoxy-1-(1-propan-2-ylimidazol-2-yl)methanamine?
N-methyl-N-phenylmethoxy-1-(1-propan-2-ylimidazol-2-yl)methanamine has a molecular weight of 259.35 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenylmethoxy-1-(1-propan-2-ylimidazol-2-yl)methanamine is sourced from PubChem (CID 86781435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).