2-(3,4-dihydro-2H-chromen-4-yl)-1-(oxan-3-yl)ethanamine

C16H23NO2 — CID 104770430

IUPAC2-(3,4-dihydro-2H-chromen-4-yl)-1-(oxan-3-yl)ethanamine
SMILESNC(CC1CCOc2ccccc21)C1CCCOC1
InChIInChI=1S/C16H23NO2/c17-15(13-4-3-8-18-11-13)10-12-7-9-19-16-6-2-1-5-14(12)16/h1-2,5-6,12-13,15H,3-4,7-11,17H2
InChIKeyIZIIOSKPJXKOIH-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.70
Rot. Bonds3

About 2-(3,4-dihydro-2H-chromen-4-yl)-1-(oxan-3-yl)ethanamine

2-(3,4-dihydro-2H-chromen-4-yl)-1-(oxan-3-yl)ethanamine (PubChem CID 104770430) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-4-yl)-1-(oxan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-yl)-1-(oxan-3-yl)ethanamine
PubChem CID104770430
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name2-(3,4-dihydro-2H-chromen-4-yl)-1-(oxan-3-yl)ethanamine
SMILESNC(CC1CCOc2ccccc21)C1CCCOC1
InChIInChI=1S/C16H23NO2/c17-15(13-4-3-8-18-11-13)10-12-7-9-19-16-6-2-1-5-14(12)16/h1-2,5-6,12-13,15H,3-4,7-11,17H2
InChIKeyIZIIOSKPJXKOIH-UHFFFAOYSA-N
XLogP2.70
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-2-(2,3-dihydro-1-benzofuran-3-yl)ethanamine
CID 112570233
1-(oxan-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 65331743
2-(3,4-dihydro-2H-chromen-4-yl)-1-(2,2-dimethylcyclopropyl)ethanamine
CID 107004950
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
2-(3,4-dihydro-2H-chromen-4-yl)-1-(3-methyl-1,4-dithian-2-yl)ethanamine
CID 104770568
3-(3,4-dihydro-2H-chromen-4-yl)-2-fluoropropan-1-amine
CID 104772597
1-cyclohexyl-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-ol
CID 104769305
1-cyclobutyl-2-(3,4-dihydro-2H-chromen-4-yl)-N-ethylethanamine
CID 104770384
N-[3,4-dihydro-2H-chromen-4-yl(oxan-3-yl)methyl]propan-1-amine
CID 107136469
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxan-3-amine
CID 79226755
1-cyclohexyl-2-(3,4-dihydro-2H-chromen-4-yl)-N-ethylethanamine
CID 104770185

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(oxan-3-yl)ethanamine?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(oxan-3-yl)ethanamine (CID 104770430) is 2-(3,4-dihydro-2H-chromen-4-yl)-1-(oxan-3-yl)ethanamine.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-yl)-1-(oxan-3-yl)ethanamine?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-yl)-1-(oxan-3-yl)ethanamine is NC(CC1CCOc2ccccc21)C1CCCOC1.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(oxan-3-yl)ethanamine?
The InChIKey is IZIIOSKPJXKOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c17-15(13-4-3-8-18-11-13)10-12-7-9-19-16-6-2-1-5-14(12)16/h1-2,5-6,12-13,15H,3-4,7-11,17H2.
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(oxan-3-yl)ethanamine?
2-(3,4-dihydro-2H-chromen-4-yl)-1-(oxan-3-yl)ethanamine has a molecular weight of 261.36 g/mol, XLogP of 2.70, 3 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)-1-(oxan-3-yl)ethanamine is sourced from PubChem (CID 104770430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).