2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-pyridin-2-ylethanamine

C17H20N2O — CID 104770144

IUPAC2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-pyridin-2-ylethanamine
SMILESCNC(CC1CCOc2ccccc21)c1ccccn1
InChIInChI=1S/C17H20N2O/c1-18-16(15-7-4-5-10-19-15)12-13-9-11-20-17-8-3-2-6-14(13)17/h2-8,10,13,16,18H,9,11-12H2,1H3
InChIKeyWZJRQBVETNKXAU-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.30
Rot. Bonds4

About 2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-pyridin-2-ylethanamine

2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-pyridin-2-ylethanamine (PubChem CID 104770144) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-pyridin-2-ylethanamine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-pyridin-2-ylethanamine
PubChem CID104770144
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-pyridin-2-ylethanamine
SMILESCNC(CC1CCOc2ccccc21)c1ccccn1
InChIInChI=1S/C17H20N2O/c1-18-16(15-7-4-5-10-19-15)12-13-9-11-20-17-8-3-2-6-14(13)17/h2-8,10,13,16,18H,9,11-12H2,1H3
InChIKeyWZJRQBVETNKXAU-UHFFFAOYSA-N
XLogP3.30
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-(1,3-thiazol-4-yl)ethanamine
CID 104770536
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-(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)-1-(3-fluoro-4-pyridinyl)-N-methylethanamine
CID 104770561
2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-pyrazin-2-ylethanamine
CID 104770198
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
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)-N-methyl-1-pyridin-2-ylethanamine?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-pyridin-2-ylethanamine (CID 104770144) is 2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-pyridin-2-ylethanamine.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-pyridin-2-ylethanamine?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-pyridin-2-ylethanamine is CNC(CC1CCOc2ccccc21)c1ccccn1.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-pyridin-2-ylethanamine?
The InChIKey is WZJRQBVETNKXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-18-16(15-7-4-5-10-19-15)12-13-9-11-20-17-8-3-2-6-14(13)17/h2-8,10,13,16,18H,9,11-12H2,1H3.
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-pyridin-2-ylethanamine?
2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-pyridin-2-ylethanamine has a molecular weight of 268.36 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 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)-N-methyl-1-pyridin-2-ylethanamine is sourced from PubChem (CID 104770144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).