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

C17H19BrN2O — CID 104770599

IUPAC1-(3-bromo-2-pyridinyl)-2-(3,4-dihydro-2H-chromen-4-yl)-N-methylethanamine
SMILESCNC(CC1CCOc2ccccc21)c1ncccc1Br
InChIInChI=1S/C17H19BrN2O/c1-19-15(17-14(18)6-4-9-20-17)11-12-8-10-21-16-7-3-2-5-13(12)16/h2-7,9,12,15,19H,8,10-11H2,1H3
InChIKeyXOQGHHZBWVIXET-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.06
Rot. Bonds4

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

1-(3-bromo-2-pyridinyl)-2-(3,4-dihydro-2H-chromen-4-yl)-N-methylethanamine (PubChem CID 104770599) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 1-(3-bromo-2-pyridinyl)-2-(3,4-dihydro-2H-chromen-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3-bromo-2-pyridinyl)-2-(3,4-dihydro-2H-chromen-4-yl)-N-methylethanamine
PubChem CID104770599
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name1-(3-bromo-2-pyridinyl)-2-(3,4-dihydro-2H-chromen-4-yl)-N-methylethanamine
SMILESCNC(CC1CCOc2ccccc21)c1ncccc1Br
InChIInChI=1S/C17H19BrN2O/c1-19-15(17-14(18)6-4-9-20-17)11-12-8-10-21-16-7-3-2-5-13(12)16/h2-7,9,12,15,19H,8,10-11H2,1H3
InChIKeyXOQGHHZBWVIXET-UHFFFAOYSA-N
XLogP4.06
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.06
H-Bond Donors ≤ 51
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
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-(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-(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
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-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-diethoxy-N-methylpropan-2-amine
CID 104770492
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

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-pyridinyl)-2-(3,4-dihydro-2H-chromen-4-yl)-N-methylethanamine?
The IUPAC name of 1-(3-bromo-2-pyridinyl)-2-(3,4-dihydro-2H-chromen-4-yl)-N-methylethanamine (CID 104770599) is 1-(3-bromo-2-pyridinyl)-2-(3,4-dihydro-2H-chromen-4-yl)-N-methylethanamine.
What is the SMILES notation for 1-(3-bromo-2-pyridinyl)-2-(3,4-dihydro-2H-chromen-4-yl)-N-methylethanamine?
The canonical SMILES for 1-(3-bromo-2-pyridinyl)-2-(3,4-dihydro-2H-chromen-4-yl)-N-methylethanamine is CNC(CC1CCOc2ccccc21)c1ncccc1Br.
What is the InChIKey of 1-(3-bromo-2-pyridinyl)-2-(3,4-dihydro-2H-chromen-4-yl)-N-methylethanamine?
The InChIKey is XOQGHHZBWVIXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-19-15(17-14(18)6-4-9-20-17)11-12-8-10-21-16-7-3-2-5-13(12)16/h2-7,9,12,15,19H,8,10-11H2,1H3.
What are the key properties of 1-(3-bromo-2-pyridinyl)-2-(3,4-dihydro-2H-chromen-4-yl)-N-methylethanamine?
1-(3-bromo-2-pyridinyl)-2-(3,4-dihydro-2H-chromen-4-yl)-N-methylethanamine has a molecular weight of 347.26 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-pyridinyl)-2-(3,4-dihydro-2H-chromen-4-yl)-N-methylethanamine is sourced from PubChem (CID 104770599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).