N-methyl-3-[2-(2-phenoxyethyl)imidazol-1-yl]propan-1-amine

C15H21N3O — CID 82558328

IUPACN-methyl-3-[2-(2-phenoxyethyl)imidazol-1-yl]propan-1-amine
SMILESCNCCCn1ccnc1CCOc1ccccc1
InChIInChI=1S/C15H21N3O/c1-16-9-5-11-18-12-10-17-15(18)8-13-19-14-6-3-2-4-7-14/h2-4,6-7,10,12,16H,5,8-9,11,13H2,1H3
InChIKeyUEBWIZNIZSEYFW-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.11
Rot. Bonds8

About N-methyl-3-[2-(2-phenoxyethyl)imidazol-1-yl]propan-1-amine

N-methyl-3-[2-(2-phenoxyethyl)imidazol-1-yl]propan-1-amine (PubChem CID 82558328) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-methyl-3-[2-(2-phenoxyethyl)imidazol-1-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[2-(2-phenoxyethyl)imidazol-1-yl]propan-1-amine
PubChem CID82558328
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-methyl-3-[2-(2-phenoxyethyl)imidazol-1-yl]propan-1-amine
SMILESCNCCCn1ccnc1CCOc1ccccc1
InChIInChI=1S/C15H21N3O/c1-16-9-5-11-18-12-10-17-15(18)8-13-19-14-6-3-2-4-7-14/h2-4,6-7,10,12,16H,5,8-9,11,13H2,1H3
InChIKeyUEBWIZNIZSEYFW-UHFFFAOYSA-N
XLogP2.11
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-3-[2-(2-phenylethyl)imidazol-1-yl]propan-1-amine
CID 82558274
N-methyl-3-phenoxypropan-1-amine
CID 22067856
N-methyl-3-[2-(2-methylphenyl)imidazol-1-yl]propan-1-amine
CID 82559024
N-methyl-1-(1-methylimidazol-2-yl)-5-phenoxypentan-3-amine
CID 114529898
N-methyl-2-[4-(3-phenoxypropyl)piperazin-1-yl]ethanamine
CID 19018032
4-[2-(1-methylimidazol-2-yl)ethoxy]phenol
CID 114528497
N-[(1-benzylimidazol-2-yl)methyl]-3-(4-fluorophenoxy)-N-methylpropan-1-amine
CID 78870193
N-methyl-3-(2-propan-2-ylimidazol-1-yl)propan-1-amine
CID 61387413
3-[2-(2-phenylethyl)imidazol-1-yl]propan-1-amine
CID 57082680
2-butyl-1-(2-phenylmethoxyethyl)imidazole
CID 174504062
2-[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]-N-methylethanamine
CID 82558058
N-methyl-4-(1-methylimidazol-2-yl)butan-1-amine
CID 79762044

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[2-(2-phenoxyethyl)imidazol-1-yl]propan-1-amine?
The IUPAC name of N-methyl-3-[2-(2-phenoxyethyl)imidazol-1-yl]propan-1-amine (CID 82558328) is N-methyl-3-[2-(2-phenoxyethyl)imidazol-1-yl]propan-1-amine.
What is the SMILES notation for N-methyl-3-[2-(2-phenoxyethyl)imidazol-1-yl]propan-1-amine?
The canonical SMILES for N-methyl-3-[2-(2-phenoxyethyl)imidazol-1-yl]propan-1-amine is CNCCCn1ccnc1CCOc1ccccc1.
What is the InChIKey of N-methyl-3-[2-(2-phenoxyethyl)imidazol-1-yl]propan-1-amine?
The InChIKey is UEBWIZNIZSEYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-16-9-5-11-18-12-10-17-15(18)8-13-19-14-6-3-2-4-7-14/h2-4,6-7,10,12,16H,5,8-9,11,13H2,1H3.
What are the key properties of N-methyl-3-[2-(2-phenoxyethyl)imidazol-1-yl]propan-1-amine?
N-methyl-3-[2-(2-phenoxyethyl)imidazol-1-yl]propan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[2-(2-phenoxyethyl)imidazol-1-yl]propan-1-amine is sourced from PubChem (CID 82558328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).