2-[5-(3,4-dihydro-2H-chromen-4-ylmethoxy)-2-pyridinyl]ethanamine

C17H20N2O2 — CID 104770648

IUPAC2-[5-(3,4-dihydro-2H-chromen-4-ylmethoxy)-2-pyridinyl]ethanamine
SMILESNCCc1ccc(OCC2CCOc3ccccc32)cn1
InChIInChI=1S/C17H20N2O2/c18-9-7-14-5-6-15(11-19-14)21-12-13-8-10-20-17-4-2-1-3-16(13)17/h1-6,11,13H,7-10,12,18H2
InChIKeyXYALGRVAPFRZQV-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.53
Rot. Bonds5

About 2-[5-(3,4-dihydro-2H-chromen-4-ylmethoxy)-2-pyridinyl]ethanamine

2-[5-(3,4-dihydro-2H-chromen-4-ylmethoxy)-2-pyridinyl]ethanamine (PubChem CID 104770648) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[5-(3,4-dihydro-2H-chromen-4-ylmethoxy)-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-[5-(3,4-dihydro-2H-chromen-4-ylmethoxy)-2-pyridinyl]ethanamine
PubChem CID104770648
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-[5-(3,4-dihydro-2H-chromen-4-ylmethoxy)-2-pyridinyl]ethanamine
SMILESNCCc1ccc(OCC2CCOc3ccccc32)cn1
InChIInChI=1S/C17H20N2O2/c18-9-7-14-5-6-15(11-19-14)21-12-13-8-10-20-17-4-2-1-3-16(13)17/h1-6,11,13H,7-10,12,18H2
InChIKeyXYALGRVAPFRZQV-UHFFFAOYSA-N
XLogP2.53
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(3,4-dihydro-2H-chromen-4-ylmethoxy)-2-pyridinyl]methanol
CID 104768743
[4-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]methanamine
CID 104768013
4-[(4-fluorophenoxy)methyl]-3,4-dihydro-2H-chromene
CID 104771987
4-[[4-(chloromethyl)phenoxy]methyl]-3,4-dihydro-2H-chromene
CID 104768773
3-(3,4-dihydro-2H-chromen-4-ylmethoxy)aniline
CID 104768037
4-(3,4-dihydro-2H-chromen-4-ylmethoxy)benzoic acid
CID 104768077
4-[(3-fluoro-4-methylphenoxy)methyl]-3,4-dihydro-2H-chromene
CID 107171423
2-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenol
CID 104768812
[(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)ethanamine;hydrochloride
CID 175798234
4-[[3-(bromomethyl)phenoxy]methyl]-3,4-dihydro-2H-chromene
CID 104768779

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,4-dihydro-2H-chromen-4-ylmethoxy)-2-pyridinyl]ethanamine?
The IUPAC name of 2-[5-(3,4-dihydro-2H-chromen-4-ylmethoxy)-2-pyridinyl]ethanamine (CID 104770648) is 2-[5-(3,4-dihydro-2H-chromen-4-ylmethoxy)-2-pyridinyl]ethanamine.
What is the SMILES notation for 2-[5-(3,4-dihydro-2H-chromen-4-ylmethoxy)-2-pyridinyl]ethanamine?
The canonical SMILES for 2-[5-(3,4-dihydro-2H-chromen-4-ylmethoxy)-2-pyridinyl]ethanamine is NCCc1ccc(OCC2CCOc3ccccc32)cn1.
What is the InChIKey of 2-[5-(3,4-dihydro-2H-chromen-4-ylmethoxy)-2-pyridinyl]ethanamine?
The InChIKey is XYALGRVAPFRZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c18-9-7-14-5-6-15(11-19-14)21-12-13-8-10-20-17-4-2-1-3-16(13)17/h1-6,11,13H,7-10,12,18H2.
What are the key properties of 2-[5-(3,4-dihydro-2H-chromen-4-ylmethoxy)-2-pyridinyl]ethanamine?
2-[5-(3,4-dihydro-2H-chromen-4-ylmethoxy)-2-pyridinyl]ethanamine has a molecular weight of 284.36 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,4-dihydro-2H-chromen-4-ylmethoxy)-2-pyridinyl]ethanamine is sourced from PubChem (CID 104770648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).