N-ethyl-2-(4-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine

C15H21N3O — CID 63974743

IUPACN-ethyl-2-(4-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine
SMILESCCNC(Cc1ccc(OC)cc1)c1nccn1C
InChIInChI=1S/C15H21N3O/c1-4-16-14(15-17-9-10-18(15)2)11-12-5-7-13(19-3)8-6-12/h5-10,14,16H,4,11H2,1-3H3
InChIKeyWAVJDFKUFUAUPM-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.32
Rot. Bonds6

About N-ethyl-2-(4-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine

N-ethyl-2-(4-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine (PubChem CID 63974743) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-ethyl-2-(4-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(4-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine
PubChem CID63974743
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-ethyl-2-(4-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine
SMILESCCNC(Cc1ccc(OC)cc1)c1nccn1C
InChIInChI=1S/C15H21N3O/c1-4-16-14(15-17-9-10-18(15)2)11-12-5-7-13(19-3)8-6-12/h5-10,14,16H,4,11H2,1-3H3
InChIKeyWAVJDFKUFUAUPM-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 63974744
(1R)-N-[(4-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)ethanamine
CID 95359172
N-ethyl-2-(furan-3-yl)-1-(1-methylimidazol-2-yl)ethanamine
CID 83182674
N-ethyl-1-(1-methylimidazol-2-yl)-2-(3-methylphenyl)ethanamine
CID 63976652
N-[2-(4-bromophenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 63977288
N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine
CID 104794217
N-ethyl-1-(1-methylimidazol-2-yl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876707
2-(3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)ethanamine
CID 63974321
N-ethyl-2-(4-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanamine
CID 63975323
N-ethyl-1-(1-methylimidazol-2-yl)-3-phenylpropan-1-amine
CID 63974955
1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 114648398
N-methyl-1-(1-methylimidazol-2-yl)-2-phenylethanamine
CID 63976862

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine?
The IUPAC name of N-ethyl-2-(4-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine (CID 63974743) is N-ethyl-2-(4-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(4-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(4-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine is CCNC(Cc1ccc(OC)cc1)c1nccn1C.
What is the InChIKey of N-ethyl-2-(4-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine?
The InChIKey is WAVJDFKUFUAUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-16-14(15-17-9-10-18(15)2)11-12-5-7-13(19-3)8-6-12/h5-10,14,16H,4,11H2,1-3H3.
What are the key properties of N-ethyl-2-(4-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine?
N-ethyl-2-(4-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine has a molecular weight of 259.35 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine is sourced from PubChem (CID 63974743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).