(2-ethoxyphenyl)methyl-(3-imidazol-1-ylpropyl)azanium

C15H22N3O+ — CID 7042091

IUPAC(2-ethoxyphenyl)methyl-(3-imidazol-1-ylpropyl)azanium
SMILESCCOc1ccccc1C[NH2+]CCCn1ccnc1
InChIInChI=1S/C15H21N3O/c1-2-19-15-7-4-3-6-14(15)12-16-8-5-10-18-11-9-17-13-18/h3-4,6-7,9,11,13,16H,2,5,8,10,12H2,1H3/p+1
InChIKeyYCWSMAXQONOVIA-UHFFFAOYSA-O
MW260.36 g/mol
LogP1.44
Rot. Bonds8

About (2-ethoxyphenyl)methyl-(3-imidazol-1-ylpropyl)azanium

(2-ethoxyphenyl)methyl-(3-imidazol-1-ylpropyl)azanium (PubChem CID 7042091) has the molecular formula C15H22N3O+ and a molecular weight of 260.36 g/mol. Its IUPAC name is (2-ethoxyphenyl)methyl-(3-imidazol-1-ylpropyl)azanium.

Molecular Properties

Compound Name(2-ethoxyphenyl)methyl-(3-imidazol-1-ylpropyl)azanium
PubChem CID7042091
Molecular FormulaC15H22N3O+
Molecular Weight260.36 g/mol
Exact Mass260.18
IUPAC Name(2-ethoxyphenyl)methyl-(3-imidazol-1-ylpropyl)azanium
SMILESCCOc1ccccc1C[NH2+]CCCn1ccnc1
InChIInChI=1S/C15H21N3O/c1-2-19-15-7-4-3-6-14(15)12-16-8-5-10-18-11-9-17-13-18/h3-4,6-7,9,11,13,16H,2,5,8,10,12H2,1H3/p+1
InChIKeyYCWSMAXQONOVIA-UHFFFAOYSA-O
XLogP1.44
TPSA43.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-ethoxy-3-methoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 17155511
(2-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
CID 4090047
N-[[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-3-imidazol-1-ylpropan-1-amine
CID 17206128
1-[2-(2-imidazol-1-ylethoxy)phenyl]ethanamine
CID 60878818
oxalic acid;1-[4-(2-prop-2-enylphenoxy)butyl]imidazole
CID 2923042
1-[3-[2,6-di(propan-2-yl)phenoxy]propyl]imidazole
CID 2852343
N-(2-imidazol-1-ylethyl)-1-(2-methoxyphenyl)propan-1-amine
CID 61325312
N-ethyl-1-[2-(2-imidazol-1-ylethoxy)phenyl]ethanamine
CID 60882874
2-(3-imidazol-1-ylpropoxy)benzaldehyde;hydrochloride
CID 75531575
1-[4-(2-phenylmethoxyphenoxy)butyl]imidazole
CID 2995500
1-[4-(2-phenylphenoxy)butyl]imidazole
CID 4998739
3-ethoxy-4-(3-imidazol-1-ylpropoxy)benzoic acid
CID 61492893

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)methyl-(3-imidazol-1-ylpropyl)azanium?
The IUPAC name of (2-ethoxyphenyl)methyl-(3-imidazol-1-ylpropyl)azanium (CID 7042091) is (2-ethoxyphenyl)methyl-(3-imidazol-1-ylpropyl)azanium.
What is the SMILES notation for (2-ethoxyphenyl)methyl-(3-imidazol-1-ylpropyl)azanium?
The canonical SMILES for (2-ethoxyphenyl)methyl-(3-imidazol-1-ylpropyl)azanium is CCOc1ccccc1C[NH2+]CCCn1ccnc1.
What is the InChIKey of (2-ethoxyphenyl)methyl-(3-imidazol-1-ylpropyl)azanium?
The InChIKey is YCWSMAXQONOVIA-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H21N3O/c1-2-19-15-7-4-3-6-14(15)12-16-8-5-10-18-11-9-17-13-18/h3-4,6-7,9,11,13,16H,2,5,8,10,12H2,1H3/p+1.
What are the key properties of (2-ethoxyphenyl)methyl-(3-imidazol-1-ylpropyl)azanium?
(2-ethoxyphenyl)methyl-(3-imidazol-1-ylpropyl)azanium has a molecular weight of 260.36 g/mol, XLogP of 1.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)methyl-(3-imidazol-1-ylpropyl)azanium is sourced from PubChem (CID 7042091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).