N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methoxyphenyl)ethanamine

C15H21N3O — CID 66244272

IUPACN-[(3-ethylimidazol-4-yl)methyl]-1-(4-methoxyphenyl)ethanamine
SMILESCCn1cncc1CNC(C)c1ccc(OC)cc1
InChIInChI=1S/C15H21N3O/c1-4-18-11-16-9-14(18)10-17-12(2)13-5-7-15(19-3)8-6-13/h5-9,11-12,17H,4,10H2,1-3H3
InChIKeyXEYFVJVEOIOJSJ-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.76
Rot. Bonds6

About N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methoxyphenyl)ethanamine

N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methoxyphenyl)ethanamine (PubChem CID 66244272) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[(3-ethylimidazol-4-yl)methyl]-1-(4-methoxyphenyl)ethanamine
PubChem CID66244272
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[(3-ethylimidazol-4-yl)methyl]-1-(4-methoxyphenyl)ethanamine
SMILESCCn1cncc1CNC(C)c1ccc(OC)cc1
InChIInChI=1S/C15H21N3O/c1-4-18-11-16-9-14(18)10-17-12(2)13-5-7-15(19-3)8-6-13/h5-9,11-12,17H,4,10H2,1-3H3
InChIKeyXEYFVJVEOIOJSJ-UHFFFAOYSA-N
XLogP2.76
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methoxyphenyl)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

N-[(3-ethylimidazol-4-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 66133621
(1R)-N-[(3-ethylimidazol-4-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376063
(1S)-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 81370569
N-[(2-ethylpyrazol-3-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 115762173
N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine
CID 66118230
1-(4-methylphenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 66130561
N-[(3-ethylimidazol-4-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 66133152
(1S)-1-(4-bromophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 81359377
(1S)-N-[(3-propylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 81405734
N-[(3-propylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 66133954
N-[(3-methylimidazol-4-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine
CID 63002109
N-[(3-ethylimidazol-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 66133359

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methoxyphenyl)ethanamine?
The IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methoxyphenyl)ethanamine (CID 66244272) is N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methoxyphenyl)ethanamine?
The canonical SMILES for N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methoxyphenyl)ethanamine is CCn1cncc1CNC(C)c1ccc(OC)cc1.
What is the InChIKey of N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methoxyphenyl)ethanamine?
The InChIKey is XEYFVJVEOIOJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-18-11-16-9-14(18)10-17-12(2)13-5-7-15(19-3)8-6-13/h5-9,11-12,17H,4,10H2,1-3H3.
What are the key properties of N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methoxyphenyl)ethanamine?
N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methoxyphenyl)ethanamine has a molecular weight of 259.35 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 66244272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).