2-(1H-imidazol-2-yl)-1-(2,3,4-trimethoxyphenyl)ethanamine

C14H19N3O3 — CID 43635853

IUPAC2-(1H-imidazol-2-yl)-1-(2,3,4-trimethoxyphenyl)ethanamine
SMILESCOc1ccc(C(N)Cc2ncc[nH]2)c(OC)c1OC
InChIInChI=1S/C14H19N3O3/c1-18-11-5-4-9(13(19-2)14(11)20-3)10(15)8-12-16-6-7-17-12/h4-7,10H,8,15H2,1-3H3,(H,16,17)
InChIKeyROKRFTAZKJUODB-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.68
Rot. Bonds6

About 2-(1H-imidazol-2-yl)-1-(2,3,4-trimethoxyphenyl)ethanamine

2-(1H-imidazol-2-yl)-1-(2,3,4-trimethoxyphenyl)ethanamine (PubChem CID 43635853) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-1-(2,3,4-trimethoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-1-(2,3,4-trimethoxyphenyl)ethanamine
PubChem CID43635853
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-(1H-imidazol-2-yl)-1-(2,3,4-trimethoxyphenyl)ethanamine
SMILESCOc1ccc(C(N)Cc2ncc[nH]2)c(OC)c1OC
InChIInChI=1S/C14H19N3O3/c1-18-11-5-4-9(13(19-2)14(11)20-3)10(15)8-12-16-6-7-17-12/h4-7,10H,8,15H2,1-3H3,(H,16,17)
InChIKeyROKRFTAZKJUODB-UHFFFAOYSA-N
XLogP1.68
TPSA82.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-bromo-2-(2,3,4-trimethoxyphenyl)ethyl]-1H-imidazole
CID 61095780
(2R)-2-amino-2-(2,3,4-trimethoxyphenyl)ethanol
CID 42579797
(1R)-4-methyl-1-(2,3,4-trimethoxyphenyl)pentan-1-amine
CID 171199872
2-thiophen-3-yl-1-(2,3,4-trimethoxyphenyl)ethanamine
CID 61079011
(1S)-3,3,3-trifluoro-1-(2,3,4-trimethoxyphenyl)propan-1-amine;hydrochloride
CID 171219378
2-[2-bromo-2-(3-bromo-4-methoxyphenyl)ethyl]-1H-imidazole
CID 61095982
(3S)-3-amino-3-(2,3,4-trimethoxyphenyl)propanamide
CID 29059945
4,4-dimethyl-1-(2,3,4-trimethoxyphenyl)pentan-1-amine
CID 115850047
(1S)-1-(2,3,4-trimethoxyphenyl)hexan-1-amine;hydrochloride
CID 171219374
2-[2-chloro-2-(3-fluoro-4-methoxyphenyl)ethyl]-1H-imidazole
CID 62920751
2-(1H-imidazol-2-yl)-1-(3-methylfuran-2-yl)ethanamine
CID 43464742
2-(1,3-thiazol-2-yl)-1-(2,3,4-trimethoxyphenyl)ethanol
CID 79823539

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)-1-(2,3,4-trimethoxyphenyl)ethanamine?
The IUPAC name of 2-(1H-imidazol-2-yl)-1-(2,3,4-trimethoxyphenyl)ethanamine (CID 43635853) is 2-(1H-imidazol-2-yl)-1-(2,3,4-trimethoxyphenyl)ethanamine.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-1-(2,3,4-trimethoxyphenyl)ethanamine?
The canonical SMILES for 2-(1H-imidazol-2-yl)-1-(2,3,4-trimethoxyphenyl)ethanamine is COc1ccc(C(N)Cc2ncc[nH]2)c(OC)c1OC.
What is the InChIKey of 2-(1H-imidazol-2-yl)-1-(2,3,4-trimethoxyphenyl)ethanamine?
The InChIKey is ROKRFTAZKJUODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-18-11-5-4-9(13(19-2)14(11)20-3)10(15)8-12-16-6-7-17-12/h4-7,10H,8,15H2,1-3H3,(H,16,17).
What are the key properties of 2-(1H-imidazol-2-yl)-1-(2,3,4-trimethoxyphenyl)ethanamine?
2-(1H-imidazol-2-yl)-1-(2,3,4-trimethoxyphenyl)ethanamine has a molecular weight of 277.32 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)-1-(2,3,4-trimethoxyphenyl)ethanamine is sourced from PubChem (CID 43635853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).