N-[[4-(3-imidazol-1-ylpropoxy)-3-methoxyphenyl]methyl]ethanamine

C16H23N3O2 — CID 61494612

IUPACN-[[4-(3-imidazol-1-ylpropoxy)-3-methoxyphenyl]methyl]ethanamine
SMILESCCNCc1ccc(OCCCn2ccnc2)c(OC)c1
InChIInChI=1S/C16H23N3O2/c1-3-17-12-14-5-6-15(16(11-14)20-2)21-10-4-8-19-9-7-18-13-19/h5-7,9,11,13,17H,3-4,8,10,12H2,1-2H3
InChIKeyOYROXCLIUYLYJO-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.47
Rot. Bonds9

About N-[[4-(3-imidazol-1-ylpropoxy)-3-methoxyphenyl]methyl]ethanamine

N-[[4-(3-imidazol-1-ylpropoxy)-3-methoxyphenyl]methyl]ethanamine (PubChem CID 61494612) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[[4-(3-imidazol-1-ylpropoxy)-3-methoxyphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(3-imidazol-1-ylpropoxy)-3-methoxyphenyl]methyl]ethanamine
PubChem CID61494612
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[[4-(3-imidazol-1-ylpropoxy)-3-methoxyphenyl]methyl]ethanamine
SMILESCCNCc1ccc(OCCCn2ccnc2)c(OC)c1
InChIInChI=1S/C16H23N3O2/c1-3-17-12-14-5-6-15(16(11-14)20-2)21-10-4-8-19-9-7-18-13-19/h5-7,9,11,13,17H,3-4,8,10,12H2,1-2H3
InChIKeyOYROXCLIUYLYJO-UHFFFAOYSA-N
XLogP2.47
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.47
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

3-imidazol-1-yl-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]propan-1-amine
CID 54848716
3-imidazol-1-yl-N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]propan-1-amine
CID 54848745
3-imidazol-1-yl-N-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]propan-1-amine;hydrochloride
CID 17156431
N-[[3-(3-imidazol-1-ylpropoxy)phenyl]methyl]ethanamine
CID 61494562
3-imidazol-1-yl-N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine;hydrochloride
CID 17156153
1-[3-(3,4-dimethoxyphenyl)propyl]imidazole
CID 69084097
4-(3-imidazol-1-ylpropoxy)-3-methoxybenzoic acid
CID 61494840
N-[[3-methoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]ethanamine
CID 114527142
N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 17156201
N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 17155358
N-[[3-methoxy-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methyl]ethanamine
CID 102999610
2-ethoxy-4-[(3-imidazol-1-ylpropylamino)methyl]phenol
CID 28832019

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-imidazol-1-ylpropoxy)-3-methoxyphenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(3-imidazol-1-ylpropoxy)-3-methoxyphenyl]methyl]ethanamine (CID 61494612) is N-[[4-(3-imidazol-1-ylpropoxy)-3-methoxyphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(3-imidazol-1-ylpropoxy)-3-methoxyphenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(3-imidazol-1-ylpropoxy)-3-methoxyphenyl]methyl]ethanamine is CCNCc1ccc(OCCCn2ccnc2)c(OC)c1.
What is the InChIKey of N-[[4-(3-imidazol-1-ylpropoxy)-3-methoxyphenyl]methyl]ethanamine?
The InChIKey is OYROXCLIUYLYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-17-12-14-5-6-15(16(11-14)20-2)21-10-4-8-19-9-7-18-13-19/h5-7,9,11,13,17H,3-4,8,10,12H2,1-2H3.
What are the key properties of N-[[4-(3-imidazol-1-ylpropoxy)-3-methoxyphenyl]methyl]ethanamine?
N-[[4-(3-imidazol-1-ylpropoxy)-3-methoxyphenyl]methyl]ethanamine has a molecular weight of 289.38 g/mol, XLogP of 2.47, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-imidazol-1-ylpropoxy)-3-methoxyphenyl]methyl]ethanamine is sourced from PubChem (CID 61494612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).