2-(5-bromo-2-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanamine

C16H17BrN2O — CID 104802615

IUPAC2-(5-bromo-2-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanamine
SMILESNC(Cc1ccc(Br)cn1)C1COc2ccccc2C1
InChIInChI=1S/C16H17BrN2O/c17-13-5-6-14(19-9-13)8-15(18)12-7-11-3-1-2-4-16(11)20-10-12/h1-6,9,12,15H,7-8,10,18H2
InChIKeyUGDLHPLJPFFTIV-UHFFFAOYSA-N
MW333.23 g/mol
LogP2.97
Rot. Bonds3

About 2-(5-bromo-2-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanamine

2-(5-bromo-2-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanamine (PubChem CID 104802615) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanamine
PubChem CID104802615
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name2-(5-bromo-2-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanamine
SMILESNC(Cc1ccc(Br)cn1)C1COc2ccccc2C1
InChIInChI=1S/C16H17BrN2O/c17-13-5-6-14(19-9-13)8-15(18)12-7-11-3-1-2-4-16(11)20-10-12/h1-6,9,12,15H,7-8,10,18H2
InChIKeyUGDLHPLJPFFTIV-UHFFFAOYSA-N
XLogP2.97
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-chromen-3-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 65412050
1-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenyl)ethanamine
CID 65409504
2-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 104802559
2-(5-bromo-2-pyridinyl)-1-cyclohexylethanamine
CID 104801170
1-(3,4-dihydro-2H-chromen-3-yl)-3-methylbut-3-en-1-amine
CID 79186066
(4-bromo-1-ethylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methanamine
CID 114655766
2-(5-bromo-2-pyridinyl)-1-(2-methylcyclopentyl)ethanamine
CID 107190834
(4-bromothiophen-3-yl)-(3,4-dihydro-2H-chromen-3-yl)methanamine
CID 79601515
3-[amino(3,4-dihydro-2H-chromen-3-yl)methyl]-5-methylpyridin-2-amine
CID 65411469
2-(2-amino-4-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanol
CID 65410962
1-[2-(3,4-dihydro-2H-chromen-3-yl)pyrimidin-5-yl]propan-2-amine
CID 65405840
2-(5-bromo-2-pyridinyl)-1-(3-methyl-1,4-dithian-2-yl)ethanamine
CID 104803700

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanamine?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanamine (CID 104802615) is 2-(5-bromo-2-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanamine?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanamine is NC(Cc1ccc(Br)cn1)C1COc2ccccc2C1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanamine?
The InChIKey is UGDLHPLJPFFTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c17-13-5-6-14(19-9-13)8-15(18)12-7-11-3-1-2-4-16(11)20-10-12/h1-6,9,12,15H,7-8,10,18H2.
What are the key properties of 2-(5-bromo-2-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanamine?
2-(5-bromo-2-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanamine has a molecular weight of 333.23 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanamine is sourced from PubChem (CID 104802615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).