2-methoxy-N-[[3-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazol-4-yl]methyl]ethanamine

C17H23N3O — CID 66152200

IUPAC2-methoxy-N-[[3-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazol-4-yl]methyl]ethanamine
SMILESCOCCNCc1cncn1C1CCc2ccccc2C1
InChIInChI=1S/C17H23N3O/c1-21-9-8-18-11-17-12-19-13-20(17)16-7-6-14-4-2-3-5-15(14)10-16/h2-5,12-13,16,18H,6-11H2,1H3
InChIKeyJTEGZQHENGLISX-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.35
Rot. Bonds6

About 2-methoxy-N-[[3-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazol-4-yl]methyl]ethanamine

2-methoxy-N-[[3-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazol-4-yl]methyl]ethanamine (PubChem CID 66152200) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-methoxy-N-[[3-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[3-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazol-4-yl]methyl]ethanamine
PubChem CID66152200
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-methoxy-N-[[3-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazol-4-yl]methyl]ethanamine
SMILESCOCCNCc1cncn1C1CCc2ccccc2C1
InChIInChI=1S/C17H23N3O/c1-21-9-8-18-11-17-12-19-13-20(17)16-7-6-14-4-2-3-5-15(14)10-16/h2-5,12-13,16,18H,6-11H2,1H3
InChIKeyJTEGZQHENGLISX-UHFFFAOYSA-N
XLogP2.35
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.35
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

2-methoxy-N-[[3-(oxolan-3-yl)imidazol-4-yl]methyl]ethanamine
CID 80714864
2-methoxy-N-[[3-(oxan-3-yl)imidazol-4-yl]methyl]ethanamine
CID 66152017
2-methoxy-N-[[3-(3,3,5,5-tetramethylcyclohexyl)imidazol-4-yl]methyl]ethanamine
CID 103968579
2-[(3-cyclopropylimidazol-4-yl)methylamino]-N-(2-methoxyethyl)acetamide
CID 113405061
N-[(3-cyclopropylimidazol-4-yl)methyl]-3-phenoxypropan-1-amine
CID 66140006
N-[[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)imidazol-4-yl]methyl]-2-methoxyethanamine
CID 66150519
N-[[1-(2,3-dihydro-1H-inden-2-yl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 107853826
[3-(2,3-dihydro-1H-inden-2-yl)imidazol-4-yl]methanamine
CID 107854371
N-(2-methoxyethyl)-N'-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)propane-1,3-diamine
CID 107126647
N-[(3-butan-2-ylimidazol-4-yl)methyl]-2-methoxyethanamine
CID 66148790
2-methoxy-N-[[3-(4-methylpentan-2-yl)imidazol-4-yl]methyl]ethanamine
CID 66148185
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 66141611

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[3-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazol-4-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[3-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazol-4-yl]methyl]ethanamine (CID 66152200) is 2-methoxy-N-[[3-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazol-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[3-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazol-4-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[3-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazol-4-yl]methyl]ethanamine is COCCNCc1cncn1C1CCc2ccccc2C1.
What is the InChIKey of 2-methoxy-N-[[3-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazol-4-yl]methyl]ethanamine?
The InChIKey is JTEGZQHENGLISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-21-9-8-18-11-17-12-19-13-20(17)16-7-6-14-4-2-3-5-15(14)10-16/h2-5,12-13,16,18H,6-11H2,1H3.
What are the key properties of 2-methoxy-N-[[3-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazol-4-yl]methyl]ethanamine?
2-methoxy-N-[[3-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazol-4-yl]methyl]ethanamine has a molecular weight of 285.39 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[3-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 66152200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).