1-(3,5-dimethoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine

C16H23N3O2 — CID 105012524

IUPAC1-(3,5-dimethoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine
SMILESCCCn1ccnc1CC(N)c1cc(OC)cc(OC)c1
InChIInChI=1S/C16H23N3O2/c1-4-6-19-7-5-18-16(19)11-15(17)12-8-13(20-2)10-14(9-12)21-3/h5,7-10,15H,4,6,11,17H2,1-3H3
InChIKeySUKWDRVQOOGRPX-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.55
Rot. Bonds7

About 1-(3,5-dimethoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine

1-(3,5-dimethoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine (PubChem CID 105012524) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine
PubChem CID105012524
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-(3,5-dimethoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine
SMILESCCCn1ccnc1CC(N)c1cc(OC)cc(OC)c1
InChIInChI=1S/C16H23N3O2/c1-4-6-19-7-5-18-16(19)11-15(17)12-8-13(20-2)10-14(9-12)21-3/h5,7-10,15H,4,6,11,17H2,1-3H3
InChIKeySUKWDRVQOOGRPX-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-(3,5-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012197
1-(3-methoxy-4-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012377
1-(4-bromo-3,5-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 114330209
1-(2-bromo-5-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105167671
1-(4-fluorophenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 79752175
2-(1-propylimidazol-2-yl)-1-quinoxalin-6-ylethanamine
CID 79753140
1-(6-methyl-3-pyridinyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105167771
1-(2,3-dimethoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105167670
5-methoxy-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 79760450
1,1-diethoxy-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79760794
1-(4,5-dibromothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012264
1-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 171986196

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine (CID 105012524) is 1-(3,5-dimethoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine is CCCn1ccnc1CC(N)c1cc(OC)cc(OC)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine?
The InChIKey is SUKWDRVQOOGRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-6-19-7-5-18-16(19)11-15(17)12-8-13(20-2)10-14(9-12)21-3/h5,7-10,15H,4,6,11,17H2,1-3H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine?
1-(3,5-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-(3,5-dimethoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine is sourced from PubChem (CID 105012524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).