1-(2,3-dimethoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine

C16H23N3O2 — CID 105167670

IUPAC1-(2,3-dimethoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine
SMILESCCCn1ccnc1CC(N)c1cccc(OC)c1OC
InChIInChI=1S/C16H23N3O2/c1-4-9-19-10-8-18-15(19)11-13(17)12-6-5-7-14(20-2)16(12)21-3/h5-8,10,13H,4,9,11,17H2,1-3H3
InChIKeyJKRLMIDRXHYBBR-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.55
Rot. Bonds7

About 1-(2,3-dimethoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine

1-(2,3-dimethoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine (PubChem CID 105167670) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(2,3-dimethoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(2,3-dimethoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine
PubChem CID105167670
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-(2,3-dimethoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine
SMILESCCCn1ccnc1CC(N)c1cccc(OC)c1OC
InChIInChI=1S/C16H23N3O2/c1-4-9-19-10-8-18-15(19)11-13(17)12-6-5-7-14(20-2)16(12)21-3/h5-8,10,13H,4,9,11,17H2,1-3H3
InChIKeyJKRLMIDRXHYBBR-UHFFFAOYSA-N
XLogP2.55
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-bromo-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012477
1-(3-methoxy-4-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012377
1-(2-bromo-5-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105167671
1-(3,5-dimethoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012524
1-(4-fluorophenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 79752175
1-(3-chloro-4-pyridinyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105167678
1-(5-chloro-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012407
2-(1-propylimidazol-2-yl)-1-quinoxalin-6-ylethanamine
CID 79753140
1-(4-bromo-2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012373
1-(2,3-dimethoxyphenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 105098958
5-methoxy-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 79760450
(1S)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine
CID 55278892

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine?
The IUPAC name of 1-(2,3-dimethoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine (CID 105167670) is 1-(2,3-dimethoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(2,3-dimethoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(2,3-dimethoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine is CCCn1ccnc1CC(N)c1cccc(OC)c1OC.
What is the InChIKey of 1-(2,3-dimethoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine?
The InChIKey is JKRLMIDRXHYBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-9-19-10-8-18-15(19)11-13(17)12-6-5-7-14(20-2)16(12)21-3/h5-8,10,13H,4,9,11,17H2,1-3H3.
What are the key properties of 1-(2,3-dimethoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine?
1-(2,3-dimethoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine has a molecular weight of 289.38 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine is sourced from PubChem (CID 105167670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).