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

C17H20N2O — CID 104770146

IUPAC2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-pyridin-3-ylethanamine
SMILESCNC(CC1CCOc2ccccc21)c1cccnc1
InChIInChI=1S/C17H20N2O/c1-18-16(14-5-4-9-19-12-14)11-13-8-10-20-17-7-3-2-6-15(13)17/h2-7,9,12-13,16,18H,8,10-11H2,1H3
InChIKeyHVLAZFLWJUALOX-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.30
Rot. Bonds4

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

2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-pyridin-3-ylethanamine (PubChem CID 104770146) 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-3-ylethanamine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-pyridin-3-ylethanamine
PubChem CID104770146
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-pyridin-3-ylethanamine
SMILESCNC(CC1CCOc2ccccc21)c1cccnc1
InChIInChI=1S/C17H20N2O/c1-18-16(14-5-4-9-19-12-14)11-13-8-10-20-17-7-3-2-6-15(13)17/h2-7,9,12-13,16,18H,8,10-11H2,1H3
InChIKeyHVLAZFLWJUALOX-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

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)-N-methyl-1-(5-methylpyrimidin-2-yl)ethanamine
CID 104770575
2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-(3-methylimidazol-4-yl)ethanamine
CID 104770582
2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-pyrazin-2-ylethanamine
CID 104770198
2-(3,4-dihydro-2H-chromen-4-yl)-1-(1H-imidazol-2-yl)-N-methylethanamine
CID 104770523
N-methyl-2-(oxolan-3-yl)-1-pyridin-3-ylethanamine
CID 103986918
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
[1-(6-chloro-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine
CID 105253220
3-(3,4-dihydro-2H-chromen-4-yl)-1,1-difluoro-N-methylpropan-2-amine
CID 103517069

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-pyridin-3-ylethanamine?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-pyridin-3-ylethanamine (CID 104770146) is 2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-pyridin-3-ylethanamine.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-pyridin-3-ylethanamine?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-pyridin-3-ylethanamine is CNC(CC1CCOc2ccccc21)c1cccnc1.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-pyridin-3-ylethanamine?
The InChIKey is HVLAZFLWJUALOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-18-16(14-5-4-9-19-12-14)11-13-8-10-20-17-7-3-2-6-15(13)17/h2-7,9,12-13,16,18H,8,10-11H2,1H3.
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-pyridin-3-ylethanamine?
2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-pyridin-3-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-3-ylethanamine is sourced from PubChem (CID 104770146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).