2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-(3-methylimidazol-4-yl)ethanamine

C16H21N3O — CID 104770582

IUPAC2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-(3-methylimidazol-4-yl)ethanamine
SMILESCNC(CC1CCOc2ccccc21)c1cncn1C
InChIInChI=1S/C16H21N3O/c1-17-14(15-10-18-11-19(15)2)9-12-7-8-20-16-6-4-3-5-13(12)16/h3-6,10-12,14,17H,7-9H2,1-2H3
InChIKeyHGPPCPIFXCWUBO-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.64
Rot. Bonds4

About 2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-(3-methylimidazol-4-yl)ethanamine

2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-(3-methylimidazol-4-yl)ethanamine (PubChem CID 104770582) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-(3-methylimidazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-(3-methylimidazol-4-yl)ethanamine
PubChem CID104770582
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-(3-methylimidazol-4-yl)ethanamine
SMILESCNC(CC1CCOc2ccccc21)c1cncn1C
InChIInChI=1S/C16H21N3O/c1-17-14(15-10-18-11-19(15)2)9-12-7-8-20-16-6-4-3-5-13(12)16/h3-6,10-12,14,17H,7-9H2,1-2H3
InChIKeyHGPPCPIFXCWUBO-UHFFFAOYSA-N
XLogP2.64
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-(5-methylpyrimidin-2-yl)ethanamine
CID 104770575
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-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)-1-(1H-imidazol-2-yl)-N-methylethanamine
CID 104770523
2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-(1,3-thiazol-4-yl)ethanamine
CID 104770536
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-(furan-3-yl)ethanamine
CID 104770367
2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-pyrazin-2-ylethanamine
CID 104770198
4-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanoic acid
CID 104772492

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-(3-methylimidazol-4-yl)ethanamine?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-(3-methylimidazol-4-yl)ethanamine (CID 104770582) is 2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-(3-methylimidazol-4-yl)ethanamine.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-(3-methylimidazol-4-yl)ethanamine?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-(3-methylimidazol-4-yl)ethanamine is CNC(CC1CCOc2ccccc21)c1cncn1C.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-(3-methylimidazol-4-yl)ethanamine?
The InChIKey is HGPPCPIFXCWUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-17-14(15-10-18-11-19(15)2)9-12-7-8-20-16-6-4-3-5-13(12)16/h3-6,10-12,14,17H,7-9H2,1-2H3.
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-(3-methylimidazol-4-yl)ethanamine?
2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-(3-methylimidazol-4-yl)ethanamine has a molecular weight of 271.36 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-(3-methylimidazol-4-yl)ethanamine is sourced from PubChem (CID 104770582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).