2-[2-(2-imidazol-1-ylethoxy)-5-methoxyphenyl]ethanamine

C14H19N3O2 — CID 54931279

IUPAC2-[2-(2-imidazol-1-ylethoxy)-5-methoxyphenyl]ethanamine
SMILESCOc1ccc(OCCn2ccnc2)c(CCN)c1
InChIInChI=1S/C14H19N3O2/c1-18-13-2-3-14(12(10-13)4-5-15)19-9-8-17-7-6-16-11-17/h2-3,6-7,10-11H,4-5,8-9,15H2,1H3
InChIKeyAJUMEHMASFAAAY-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.47
Rot. Bonds7

About 2-[2-(2-imidazol-1-ylethoxy)-5-methoxyphenyl]ethanamine

2-[2-(2-imidazol-1-ylethoxy)-5-methoxyphenyl]ethanamine (PubChem CID 54931279) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[2-(2-imidazol-1-ylethoxy)-5-methoxyphenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(2-imidazol-1-ylethoxy)-5-methoxyphenyl]ethanamine
PubChem CID54931279
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-[2-(2-imidazol-1-ylethoxy)-5-methoxyphenyl]ethanamine
SMILESCOc1ccc(OCCn2ccnc2)c(CCN)c1
InChIInChI=1S/C14H19N3O2/c1-18-13-2-3-14(12(10-13)4-5-15)19-9-8-17-7-6-16-11-17/h2-3,6-7,10-11H,4-5,8-9,15H2,1H3
InChIKeyAJUMEHMASFAAAY-UHFFFAOYSA-N
XLogP1.47
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(2-imidazol-1-ylethoxy)-5-methoxyphenyl]methyl]propan-2-amine
CID 60878720
2-[5-methoxy-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine
CID 61493842
1-[2-(4-methoxyphenoxy)ethyl]imidazole
CID 868397
2-[4-(2-imidazol-1-ylethoxy)phenyl]ethanamine
CID 43253780
2-[5-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine
CID 54935989
1-[(2,5-dimethoxyphenyl)methyl]imidazole
CID 82079239
2-[5-(2-imidazol-1-ylethoxy)-2-pyridinyl]ethanamine
CID 79799328
1-[7-(2-chloro-4-methoxyphenoxy)heptyl]imidazole
CID 19378833
1-[5-(2-chloro-4-methoxyphenoxy)pentyl]imidazole
CID 18921807
2-[5-methoxy-2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanamine
CID 61490558
1-[2-(3-imidazol-1-ylpropoxy)-4-methoxyphenyl]ethanone
CID 82001062
chloroosmium;3-imidazol-1-ylpropan-1-amine;bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine)
CID 59575067

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-imidazol-1-ylethoxy)-5-methoxyphenyl]ethanamine?
The IUPAC name of 2-[2-(2-imidazol-1-ylethoxy)-5-methoxyphenyl]ethanamine (CID 54931279) is 2-[2-(2-imidazol-1-ylethoxy)-5-methoxyphenyl]ethanamine.
What is the SMILES notation for 2-[2-(2-imidazol-1-ylethoxy)-5-methoxyphenyl]ethanamine?
The canonical SMILES for 2-[2-(2-imidazol-1-ylethoxy)-5-methoxyphenyl]ethanamine is COc1ccc(OCCn2ccnc2)c(CCN)c1.
What is the InChIKey of 2-[2-(2-imidazol-1-ylethoxy)-5-methoxyphenyl]ethanamine?
The InChIKey is AJUMEHMASFAAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-18-13-2-3-14(12(10-13)4-5-15)19-9-8-17-7-6-16-11-17/h2-3,6-7,10-11H,4-5,8-9,15H2,1H3.
What are the key properties of 2-[2-(2-imidazol-1-ylethoxy)-5-methoxyphenyl]ethanamine?
2-[2-(2-imidazol-1-ylethoxy)-5-methoxyphenyl]ethanamine has a molecular weight of 261.32 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-imidazol-1-ylethoxy)-5-methoxyphenyl]ethanamine is sourced from PubChem (CID 54931279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).