N-[(1-ethylimidazol-2-yl)methyl]-2-(4-methoxyphenyl)ethanamine

C15H21N3O — CID 46784377

IUPACN-[(1-ethylimidazol-2-yl)methyl]-2-(4-methoxyphenyl)ethanamine
SMILESCCn1ccnc1CNCCc1ccc(OC)cc1
InChIInChI=1S/C15H21N3O/c1-3-18-11-10-17-15(18)12-16-9-8-13-4-6-14(19-2)7-5-13/h4-7,10-11,16H,3,8-9,12H2,1-2H3
InChIKeyZPQHWDUJJZVHSI-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.24
Rot. Bonds7

About N-[(1-ethylimidazol-2-yl)methyl]-2-(4-methoxyphenyl)ethanamine

N-[(1-ethylimidazol-2-yl)methyl]-2-(4-methoxyphenyl)ethanamine (PubChem CID 46784377) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-2-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-2-(4-methoxyphenyl)ethanamine
PubChem CID46784377
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-2-(4-methoxyphenyl)ethanamine
SMILESCCn1ccnc1CNCCc1ccc(OC)cc1
InChIInChI=1S/C15H21N3O/c1-3-18-11-10-17-15(18)12-16-9-8-13-4-6-14(19-2)7-5-13/h4-7,10-11,16H,3,8-9,12H2,1-2H3
InChIKeyZPQHWDUJJZVHSI-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-N-[(1-ethylimidazol-2-yl)methyl]ethanamine
CID 55064912
N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 46784352
2-(4-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 46784408
N-[(1-ethylpyrazol-3-yl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 19619321
1-(1-ethylimidazol-2-yl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 115860096
N-[[1-[2-(4-methoxyphenyl)ethyl]imidazol-2-yl]methyl]cyclopropanamine
CID 65446788
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine
CID 111772700
1-ethyl-2-[(4-ethylphenoxy)methyl]imidazole
CID 63678506
N-[(1-ethylimidazol-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 62355684
N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine
CID 79738438
3-ethoxy-N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 46784365
N-[(1-ethylimidazol-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 63830781

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-2-(4-methoxyphenyl)ethanamine?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-2-(4-methoxyphenyl)ethanamine (CID 46784377) is N-[(1-ethylimidazol-2-yl)methyl]-2-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-2-(4-methoxyphenyl)ethanamine?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-2-(4-methoxyphenyl)ethanamine is CCn1ccnc1CNCCc1ccc(OC)cc1.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-2-(4-methoxyphenyl)ethanamine?
The InChIKey is ZPQHWDUJJZVHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-18-11-10-17-15(18)12-16-9-8-13-4-6-14(19-2)7-5-13/h4-7,10-11,16H,3,8-9,12H2,1-2H3.
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-2-(4-methoxyphenyl)ethanamine?
N-[(1-ethylimidazol-2-yl)methyl]-2-(4-methoxyphenyl)ethanamine has a molecular weight of 259.35 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]-2-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 46784377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).