(1R)-1-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]ethanamine

C14H19N3O3 — CID 104941610

IUPAC(1R)-1-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]ethanamine
SMILESCOc1cc(-n2cncc2[C@@H](C)N)cc(OC)c1OC
InChIInChI=1S/C14H19N3O3/c1-9(15)11-7-16-8-17(11)10-5-12(18-2)14(20-4)13(6-10)19-3/h5-9H,15H2,1-4H3/t9-/m1/s1
InChIKeyGIWCWGIVQXKASQ-SECBINFHSA-N
MW277.32 g/mol
LogP1.92
Rot. Bonds5

About (1R)-1-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]ethanamine

(1R)-1-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]ethanamine (PubChem CID 104941610) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is (1R)-1-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]ethanamine
PubChem CID104941610
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name(1R)-1-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]ethanamine
SMILESCOc1cc(-n2cncc2[C@@H](C)N)cc(OC)c1OC
InChIInChI=1S/C14H19N3O3/c1-9(15)11-7-16-8-17(11)10-5-12(18-2)14(20-4)13(6-10)19-3/h5-9H,15H2,1-4H3/t9-/m1/s1
InChIKeyGIWCWGIVQXKASQ-SECBINFHSA-N
XLogP1.92
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]ethanamine?
The IUPAC name of (1R)-1-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]ethanamine (CID 104941610) is (1R)-1-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for (1R)-1-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]ethanamine?
The canonical SMILES for (1R)-1-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]ethanamine is COc1cc(-n2cncc2[C@@H](C)N)cc(OC)c1OC.
What is the InChIKey of (1R)-1-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]ethanamine?
The InChIKey is GIWCWGIVQXKASQ-SECBINFHSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9(15)11-7-16-8-17(11)10-5-12(18-2)14(20-4)13(6-10)19-3/h5-9H,15H2,1-4H3/t9-/m1/s1.
What are the key properties of (1R)-1-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]ethanamine?
(1R)-1-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]ethanamine has a molecular weight of 277.32 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 104941610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).