2-(2-methoxyphenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine

C16H23N3O — CID 106259901

IUPAC2-(2-methoxyphenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
SMILESCCCn1cncc1CNCCc1ccccc1OC
InChIInChI=1S/C16H23N3O/c1-3-10-19-13-18-12-15(19)11-17-9-8-14-6-4-5-7-16(14)20-2/h4-7,12-13,17H,3,8-11H2,1-2H3
InChIKeyWWIDSUSSWUUDLN-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.63
Rot. Bonds8

About 2-(2-methoxyphenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine

2-(2-methoxyphenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine (PubChem CID 106259901) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
PubChem CID106259901
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-(2-methoxyphenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
SMILESCCCn1cncc1CNCCc1ccccc1OC
InChIInChI=1S/C16H23N3O/c1-3-10-19-13-18-12-15(19)11-17-9-8-14-6-4-5-7-16(14)20-2/h4-7,12-13,17H,3,8-11H2,1-2H3
InChIKeyWWIDSUSSWUUDLN-UHFFFAOYSA-N
XLogP2.63
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 106261698
2-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66134768
1-[2-(difluoromethoxy)phenyl]-N-[(3-propylimidazol-4-yl)methyl]methanamine
CID 66134173
N-[(3-propylimidazol-4-yl)methyl]-2-pyridin-3-ylethanamine
CID 66131160
2-(2-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 19619324
2-(1-methyl-1,2,4-triazol-3-yl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 80681547
N-[[2-[(3-propylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine
CID 66154561
N-[(3-propylimidazol-4-yl)methyl]but-3-yn-1-amine
CID 66130391
N-[(3-propylimidazol-4-yl)methyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 66134165
1-(4-ethylphenyl)-N-[(3-propylimidazol-4-yl)methyl]methanamine
CID 106899534
2-(5-chlorothiophen-2-yl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 106042132
4-fluoro-2-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66129575

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine?
The IUPAC name of 2-(2-methoxyphenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine (CID 106259901) is 2-(2-methoxyphenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2-(2-methoxyphenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine is CCCn1cncc1CNCCc1ccccc1OC.
What is the InChIKey of 2-(2-methoxyphenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine?
The InChIKey is WWIDSUSSWUUDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-10-19-13-18-12-15(19)11-17-9-8-14-6-4-5-7-16(14)20-2/h4-7,12-13,17H,3,8-11H2,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine?
2-(2-methoxyphenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine has a molecular weight of 273.38 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 106259901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).