N-[(2-ethoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)ethanamine

C15H21N3O — CID 61214849

IUPACN-[(2-ethoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
SMILESCCOc1ccccc1CNCCc1nccn1C
InChIInChI=1S/C15H21N3O/c1-3-19-14-7-5-4-6-13(14)12-16-9-8-15-17-10-11-18(15)2/h4-7,10-11,16H,3,8-9,12H2,1-2H3
InChIKeyNQBYVNDRQFIBRN-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.15
Rot. Bonds7

About N-[(2-ethoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)ethanamine

N-[(2-ethoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)ethanamine (PubChem CID 61214849) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
PubChem CID61214849
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[(2-ethoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
SMILESCCOc1ccccc1CNCCc1nccn1C
InChIInChI=1S/C15H21N3O/c1-3-19-14-7-5-4-6-13(14)12-16-9-8-15-17-10-11-18(15)2/h4-7,10-11,16H,3,8-9,12H2,1-2H3
InChIKeyNQBYVNDRQFIBRN-UHFFFAOYSA-N
XLogP2.15
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(2-ethoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-ethoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 63001857
N-[(2-ethoxyphenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 55202283
2-methoxy-N-[[2-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]ethanamine
CID 63058179
1-(2-ethoxyphenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine
CID 61215157
2-ethoxy-6-[[(1-methylimidazol-2-yl)methylamino]methyl]phenol
CID 63237468
2-(1-methylimidazol-2-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 114527554
N-[[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 114527122
3-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]pyridine-2-carbonitrile
CID 62895253
N-(1-benzothiophen-3-ylmethyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 55108547
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 61212601
2-(1-methylimidazol-2-yl)-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 66411574
N-[(2-ethylpyrazol-3-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 115762274

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)ethanamine?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)ethanamine (CID 61214849) is N-[(2-ethoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)ethanamine.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)ethanamine?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)ethanamine is CCOc1ccccc1CNCCc1nccn1C.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)ethanamine?
The InChIKey is NQBYVNDRQFIBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-19-14-7-5-4-6-13(14)12-16-9-8-15-17-10-11-18(15)2/h4-7,10-11,16H,3,8-9,12H2,1-2H3.
What are the key properties of N-[(2-ethoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)ethanamine?
N-[(2-ethoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)ethanamine has a molecular weight of 259.35 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)ethanamine is sourced from PubChem (CID 61214849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).