N-[2-(2-ethylphenoxy)ethyl]-2-(1H-imidazol-5-yl)ethanamine

C15H21N3O — CID 50981993

IUPACN-[2-(2-ethylphenoxy)ethyl]-2-(1H-imidazol-5-yl)ethanamine
SMILESCCc1ccccc1OCCNCCc1cnc[nH]1
InChIInChI=1S/C15H21N3O/c1-2-13-5-3-4-6-15(13)19-10-9-16-8-7-14-11-17-12-18-14/h3-6,11-12,16H,2,7-10H2,1H3,(H,17,18)
InChIKeyFMOROGUHTQKPHV-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.18
Rot. Bonds8

About N-[2-(2-ethylphenoxy)ethyl]-2-(1H-imidazol-5-yl)ethanamine

N-[2-(2-ethylphenoxy)ethyl]-2-(1H-imidazol-5-yl)ethanamine (PubChem CID 50981993) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[2-(2-ethylphenoxy)ethyl]-2-(1H-imidazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(2-ethylphenoxy)ethyl]-2-(1H-imidazol-5-yl)ethanamine
PubChem CID50981993
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[2-(2-ethylphenoxy)ethyl]-2-(1H-imidazol-5-yl)ethanamine
SMILESCCc1ccccc1OCCNCCc1cnc[nH]1
InChIInChI=1S/C15H21N3O/c1-2-13-5-3-4-6-15(13)19-10-9-16-8-7-14-11-17-12-18-14/h3-6,11-12,16H,2,7-10H2,1H3,(H,17,18)
InChIKeyFMOROGUHTQKPHV-UHFFFAOYSA-N
XLogP2.18
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylphenoxy)ethyl]-2-(1H-imidazol-5-yl)ethanamine?
The IUPAC name of N-[2-(2-ethylphenoxy)ethyl]-2-(1H-imidazol-5-yl)ethanamine (CID 50981993) is N-[2-(2-ethylphenoxy)ethyl]-2-(1H-imidazol-5-yl)ethanamine.
What is the SMILES notation for N-[2-(2-ethylphenoxy)ethyl]-2-(1H-imidazol-5-yl)ethanamine?
The canonical SMILES for N-[2-(2-ethylphenoxy)ethyl]-2-(1H-imidazol-5-yl)ethanamine is CCc1ccccc1OCCNCCc1cnc[nH]1.
What is the InChIKey of N-[2-(2-ethylphenoxy)ethyl]-2-(1H-imidazol-5-yl)ethanamine?
The InChIKey is FMOROGUHTQKPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-2-13-5-3-4-6-15(13)19-10-9-16-8-7-14-11-17-12-18-14/h3-6,11-12,16H,2,7-10H2,1H3,(H,17,18).
What are the key properties of N-[2-(2-ethylphenoxy)ethyl]-2-(1H-imidazol-5-yl)ethanamine?
N-[2-(2-ethylphenoxy)ethyl]-2-(1H-imidazol-5-yl)ethanamine has a molecular weight of 259.35 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylphenoxy)ethyl]-2-(1H-imidazol-5-yl)ethanamine is sourced from PubChem (CID 50981993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).