2-(3,4-dihydro-2H-chromen-4-yl)-1-(1H-imidazol-2-yl)-N-methylethanamine

C15H19N3O — CID 104770523

IUPAC2-(3,4-dihydro-2H-chromen-4-yl)-1-(1H-imidazol-2-yl)-N-methylethanamine
SMILESCNC(CC1CCOc2ccccc21)c1ncc[nH]1
InChIInChI=1S/C15H19N3O/c1-16-13(15-17-7-8-18-15)10-11-6-9-19-14-5-3-2-4-12(11)14/h2-5,7-8,11,13,16H,6,9-10H2,1H3,(H,17,18)
InChIKeySNJGBWZWISGYPM-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.63
Rot. Bonds4

About 2-(3,4-dihydro-2H-chromen-4-yl)-1-(1H-imidazol-2-yl)-N-methylethanamine

2-(3,4-dihydro-2H-chromen-4-yl)-1-(1H-imidazol-2-yl)-N-methylethanamine (PubChem CID 104770523) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-4-yl)-1-(1H-imidazol-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-yl)-1-(1H-imidazol-2-yl)-N-methylethanamine
PubChem CID104770523
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-(3,4-dihydro-2H-chromen-4-yl)-1-(1H-imidazol-2-yl)-N-methylethanamine
SMILESCNC(CC1CCOc2ccccc21)c1ncc[nH]1
InChIInChI=1S/C15H19N3O/c1-16-13(15-17-7-8-18-15)10-11-6-9-19-14-5-3-2-4-12(11)14/h2-5,7-8,11,13,16H,6,9-10H2,1H3,(H,17,18)
InChIKeySNJGBWZWISGYPM-UHFFFAOYSA-N
XLogP2.63
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-pyridin-2-ylethanamine
CID 104770144
1-(3-bromo-2-pyridinyl)-2-(3,4-dihydro-2H-chromen-4-yl)-N-methylethanamine
CID 104770599
2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-(5-methylpyrimidin-2-yl)ethanamine
CID 104770575
2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-pyridin-3-ylethanamine
CID 104770146
2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-(1,3-thiazol-4-yl)ethanamine
CID 104770536
2-(3,4-dihydro-2H-chromen-4-yl)-1-(3-fluoro-4-pyridinyl)-N-methylethanamine
CID 104770561
2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-(3-methylimidazol-4-yl)ethanamine
CID 104770582
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylbutan-2-amine
CID 104770168
3-(3,4-dihydro-2H-chromen-4-yl)-1,1-difluoro-N-methylpropan-2-amine
CID 103517069
2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-pyrazin-2-ylethanamine
CID 104770198
1-cyclobutyl-3-(3,4-dihydro-2H-chromen-4-yl)-N-methylpropan-2-amine
CID 103169448
2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-(1-methylcyclohexyl)ethanamine
CID 106830543

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(1H-imidazol-2-yl)-N-methylethanamine?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(1H-imidazol-2-yl)-N-methylethanamine (CID 104770523) is 2-(3,4-dihydro-2H-chromen-4-yl)-1-(1H-imidazol-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-yl)-1-(1H-imidazol-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-yl)-1-(1H-imidazol-2-yl)-N-methylethanamine is CNC(CC1CCOc2ccccc21)c1ncc[nH]1.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(1H-imidazol-2-yl)-N-methylethanamine?
The InChIKey is SNJGBWZWISGYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-16-13(15-17-7-8-18-15)10-11-6-9-19-14-5-3-2-4-12(11)14/h2-5,7-8,11,13,16H,6,9-10H2,1H3,(H,17,18).
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(1H-imidazol-2-yl)-N-methylethanamine?
2-(3,4-dihydro-2H-chromen-4-yl)-1-(1H-imidazol-2-yl)-N-methylethanamine has a molecular weight of 257.34 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-4-yl)-1-(1H-imidazol-2-yl)-N-methylethanamine is sourced from PubChem (CID 104770523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).