3-imidazol-1-yl-N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-1-amine

C17H25N3O2 — CID 119125266

IUPAC3-imidazol-1-yl-N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-1-amine
SMILESCOCCOc1ccc(CNCC(C)Cn2ccnc2)cc1
InChIInChI=1S/C17H25N3O2/c1-15(13-20-8-7-18-14-20)11-19-12-16-3-5-17(6-4-16)22-10-9-21-2/h3-8,14-15,19H,9-13H2,1-2H3
InChIKeyNDWSEUVLMFCTCS-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.33
Rot. Bonds10

About 3-imidazol-1-yl-N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-1-amine

3-imidazol-1-yl-N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 119125266) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-imidazol-1-yl-N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-1-amine
PubChem CID119125266
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name3-imidazol-1-yl-N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-1-amine
SMILESCOCCOc1ccc(CNCC(C)Cn2ccnc2)cc1
InChIInChI=1S/C17H25N3O2/c1-15(13-20-8-7-18-14-20)11-19-12-16-3-5-17(6-4-16)22-10-9-21-2/h3-8,14-15,19H,9-13H2,1-2H3
InChIKeyNDWSEUVLMFCTCS-UHFFFAOYSA-N
XLogP2.33
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(difluoromethoxy)phenyl]methyl]-3-imidazol-1-yl-2-methylpropan-1-amine
CID 60595639
3-imidazol-1-yl-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine
CID 60595533
3-imidazol-1-yl-2-methyl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 115595871
3-imidazol-1-yl-N-[(4-methoxy-3-nitrophenyl)methyl]-2-methylpropan-1-amine
CID 119124841
1-[4-(2-imidazol-1-ylethoxy)phenyl]-N-methylmethanamine
CID 60880613
4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]butan-1-amine
CID 61069437
3-imidazol-1-yl-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 60595674
N-(furan-2-ylmethyl)-3-imidazol-1-yl-2-methylpropan-1-amine;hydrochloride
CID 115595868
3-imidazol-1-yl-2-methyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine;hydrochloride
CID 115595862
1-[2-(4-ethylphenoxy)ethyl]imidazole
CID 867238
3-imidazol-1-yl-2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
CID 60595894
2-(4-aminophenyl)-N-(3-imidazol-1-yl-2-methylpropyl)acetamide
CID 119859022

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of 3-imidazol-1-yl-N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-1-amine (CID 119125266) is 3-imidazol-1-yl-N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for 3-imidazol-1-yl-N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for 3-imidazol-1-yl-N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-1-amine is COCCOc1ccc(CNCC(C)Cn2ccnc2)cc1.
What is the InChIKey of 3-imidazol-1-yl-N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is NDWSEUVLMFCTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-15(13-20-8-7-18-14-20)11-19-12-16-3-5-17(6-4-16)22-10-9-21-2/h3-8,14-15,19H,9-13H2,1-2H3.
What are the key properties of 3-imidazol-1-yl-N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-1-amine?
3-imidazol-1-yl-N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 303.41 g/mol, XLogP of 2.33, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 119125266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).