3-[2-(2-methoxyethoxy)ethoxy]-3,4-dihydro-2H-chromen-4-amine

C14H21NO4 — CID 104560707

IUPAC3-[2-(2-methoxyethoxy)ethoxy]-3,4-dihydro-2H-chromen-4-amine
SMILESCOCCOCCOC1COc2ccccc2C1N
InChIInChI=1S/C14H21NO4/c1-16-6-7-17-8-9-18-13-10-19-12-5-3-2-4-11(12)14(13)15/h2-5,13-14H,6-10,15H2,1H3
InChIKeyQIYWYVNKBAAFIR-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.13
Rot. Bonds7

About 3-[2-(2-methoxyethoxy)ethoxy]-3,4-dihydro-2H-chromen-4-amine

3-[2-(2-methoxyethoxy)ethoxy]-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104560707) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 3-[2-(2-methoxyethoxy)ethoxy]-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name3-[2-(2-methoxyethoxy)ethoxy]-3,4-dihydro-2H-chromen-4-amine
PubChem CID104560707
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name3-[2-(2-methoxyethoxy)ethoxy]-3,4-dihydro-2H-chromen-4-amine
SMILESCOCCOCCOC1COc2ccccc2C1N
InChIInChI=1S/C14H21NO4/c1-16-6-7-17-8-9-18-13-10-19-12-5-3-2-4-11(12)14(13)15/h2-5,13-14H,6-10,15H2,1H3
InChIKeyQIYWYVNKBAAFIR-UHFFFAOYSA-N
XLogP1.13
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[(3S,4R)-4-amino-3,4-dihydro-2H-chromen-3-yl]oxy]-2,2-dimethylpropanenitrile
CID 172508662
3-(2-methoxyethylsulfanyl)-3,4-dihydro-2H-chromen-4-amine
CID 64610350
N-[(3R,4S)-3-(2-methoxyethoxy)-3,4-dihydro-2H-chromen-4-yl]-1,1-diphenylmethanimine
CID 167482840
3-(oxan-4-ylmethoxy)-3,4-dihydro-2H-chromen-4-amine
CID 62382431
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-(2-methoxyethoxy)ethanamine
CID 79226040
3-(3-methoxypropylsulfanyl)-3,4-dihydro-2H-chromen-4-amine
CID 64625862
2-[2-(3-methoxypropoxy)ethoxy]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103177106
(3R,4S)-3-(oxolan-3-ylmethoxy)-3,4-dihydro-2H-chromen-4-amine
CID 167482694
3-N-(2-methoxyethyl)-3-N-propan-2-yl-3,4-dihydro-2H-chromene-3,4-diamine
CID 82965010
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,3-dihydro-1H-inden-1-ol
CID 104564613
(4S)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 68776309
3-(4-propylphenoxy)-3,4-dihydro-2H-chromen-4-amine
CID 62550128

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyethoxy)ethoxy]-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 3-[2-(2-methoxyethoxy)ethoxy]-3,4-dihydro-2H-chromen-4-amine (CID 104560707) is 3-[2-(2-methoxyethoxy)ethoxy]-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 3-[2-(2-methoxyethoxy)ethoxy]-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 3-[2-(2-methoxyethoxy)ethoxy]-3,4-dihydro-2H-chromen-4-amine is COCCOCCOC1COc2ccccc2C1N.
What is the InChIKey of 3-[2-(2-methoxyethoxy)ethoxy]-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is QIYWYVNKBAAFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-16-6-7-17-8-9-18-13-10-19-12-5-3-2-4-11(12)14(13)15/h2-5,13-14H,6-10,15H2,1H3.
What are the key properties of 3-[2-(2-methoxyethoxy)ethoxy]-3,4-dihydro-2H-chromen-4-amine?
3-[2-(2-methoxyethoxy)ethoxy]-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 267.32 g/mol, XLogP of 1.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyethoxy)ethoxy]-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104560707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).