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

C15H21N3O — CID 55088135

IUPAC3-methoxy-N-[2-(2-phenylimidazol-1-yl)ethyl]propan-1-amine
SMILESCOCCCNCCn1ccnc1-c1ccccc1
InChIInChI=1S/C15H21N3O/c1-19-13-5-8-16-9-11-18-12-10-17-15(18)14-6-3-2-4-7-14/h2-4,6-7,10,12,16H,5,8-9,11,13H2,1H3
InChIKeyVRLXPYQZFXHXIM-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.18
Rot. Bonds8

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

3-methoxy-N-[2-(2-phenylimidazol-1-yl)ethyl]propan-1-amine (PubChem CID 55088135) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-methoxy-N-[2-(2-phenylimidazol-1-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[2-(2-phenylimidazol-1-yl)ethyl]propan-1-amine
PubChem CID55088135
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-methoxy-N-[2-(2-phenylimidazol-1-yl)ethyl]propan-1-amine
SMILESCOCCCNCCn1ccnc1-c1ccccc1
InChIInChI=1S/C15H21N3O/c1-19-13-5-8-16-9-11-18-12-10-17-15(18)14-6-3-2-4-7-14/h2-4,6-7,10,12,16H,5,8-9,11,13H2,1H3
InChIKeyVRLXPYQZFXHXIM-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
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',N'-dimethyl-N-[2-(2-phenylimidazol-1-yl)ethyl]ethane-1,2-diamine
CID 62564926
1-(2-methoxyethyl)-3-[3-(2-phenylimidazol-1-yl)propyl]urea
CID 71789054
methyl 4-(2-phenylimidazol-1-yl)butanoate
CID 11149223
2-methyl-N-[2-(2-phenylimidazol-1-yl)ethyl]butan-2-amine
CID 55088185
N-tert-butyl-4-(2-phenylimidazol-1-yl)butan-1-amine
CID 62566993
1-(3-bromopropyl)-2-phenylimidazole
CID 61069567
formic acid;2-(2-phenylimidazol-1-yl)-N-[(4-phenylphenyl)methyl]ethanamine
CID 70682957
N-(2-methoxyethyl)-4-(2-thiophen-2-ylimidazol-1-yl)butan-1-amine
CID 62566108
1-methoxy-3-(2-phenylimidazol-1-yl)propan-2-amine
CID 107506135
3-(2-phenylimidazol-1-yl)propanal
CID 63040001
2-chloro-N-[2-(2-phenylimidazol-1-yl)ethyl]aniline
CID 62565112
N-(3-methoxypropyl)-3-phenylpropan-1-amine
CID 28674385

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(2-phenylimidazol-1-yl)ethyl]propan-1-amine?
The IUPAC name of 3-methoxy-N-[2-(2-phenylimidazol-1-yl)ethyl]propan-1-amine (CID 55088135) is 3-methoxy-N-[2-(2-phenylimidazol-1-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3-methoxy-N-[2-(2-phenylimidazol-1-yl)ethyl]propan-1-amine?
The canonical SMILES for 3-methoxy-N-[2-(2-phenylimidazol-1-yl)ethyl]propan-1-amine is COCCCNCCn1ccnc1-c1ccccc1.
What is the InChIKey of 3-methoxy-N-[2-(2-phenylimidazol-1-yl)ethyl]propan-1-amine?
The InChIKey is VRLXPYQZFXHXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-19-13-5-8-16-9-11-18-12-10-17-15(18)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 3-methoxy-N-[2-(2-phenylimidazol-1-yl)ethyl]propan-1-amine?
3-methoxy-N-[2-(2-phenylimidazol-1-yl)ethyl]propan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(2-phenylimidazol-1-yl)ethyl]propan-1-amine is sourced from PubChem (CID 55088135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).