1-(3-methoxy-4-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine

C16H23N3O — CID 105012377

IUPAC1-(3-methoxy-4-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
SMILESCCCn1ccnc1CC(N)c1ccc(C)c(OC)c1
InChIInChI=1S/C16H23N3O/c1-4-8-19-9-7-18-16(19)11-14(17)13-6-5-12(2)15(10-13)20-3/h5-7,9-10,14H,4,8,11,17H2,1-3H3
InChIKeyJYFSGEDPOOXSAB-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.85
Rot. Bonds6

About 1-(3-methoxy-4-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine

1-(3-methoxy-4-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine (PubChem CID 105012377) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(3-methoxy-4-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(3-methoxy-4-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
PubChem CID105012377
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-(3-methoxy-4-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
SMILESCCCn1ccnc1CC(N)c1ccc(C)c(OC)c1
InChIInChI=1S/C16H23N3O/c1-4-8-19-9-7-18-16(19)11-14(17)13-6-5-12(2)15(10-13)20-3/h5-7,9-10,14H,4,8,11,17H2,1-3H3
InChIKeyJYFSGEDPOOXSAB-UHFFFAOYSA-N
XLogP2.85
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxy-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 115580367
1-(3,5-dimethoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012524
2-(1-propylimidazol-2-yl)-1-quinoxalin-6-ylethanamine
CID 79753140
1-(3,5-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012197
1-(4-bromo-3,5-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 114330209
1-(6-methyl-3-pyridinyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105167771
1-(4-fluorophenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 79752175
1-(2,3-dimethoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105167670
1-(5-chloro-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012407
1-(2-bromo-5-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105167671
[1-(3-methoxy-4-methylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105319092
5-methoxy-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 79760450

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine?
The IUPAC name of 1-(3-methoxy-4-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine (CID 105012377) is 1-(3-methoxy-4-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(3-methoxy-4-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(3-methoxy-4-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine is CCCn1ccnc1CC(N)c1ccc(C)c(OC)c1.
What is the InChIKey of 1-(3-methoxy-4-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine?
The InChIKey is JYFSGEDPOOXSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-8-19-9-7-18-16(19)11-14(17)13-6-5-12(2)15(10-13)20-3/h5-7,9-10,14H,4,8,11,17H2,1-3H3.
What are the key properties of 1-(3-methoxy-4-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine?
1-(3-methoxy-4-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine has a molecular weight of 273.38 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine is sourced from PubChem (CID 105012377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).