N-[2-[2-(3,4-dihydro-2H-chromen-6-yl)ethoxy]ethyl]-2-methoxyethanamine

C16H25NO3 — CID 65305123

IUPACN-[2-[2-(3,4-dihydro-2H-chromen-6-yl)ethoxy]ethyl]-2-methoxyethanamine
SMILESCOCCNCCOCCc1ccc2c(c1)CCCO2
InChIInChI=1S/C16H25NO3/c1-18-11-7-17-8-12-19-10-6-14-4-5-16-15(13-14)3-2-9-20-16/h4-5,13,17H,2-3,6-12H2,1H3
InChIKeyDVTIJOIGGWLKAB-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.81
Rot. Bonds9

About N-[2-[2-(3,4-dihydro-2H-chromen-6-yl)ethoxy]ethyl]-2-methoxyethanamine

N-[2-[2-(3,4-dihydro-2H-chromen-6-yl)ethoxy]ethyl]-2-methoxyethanamine (PubChem CID 65305123) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[2-[2-(3,4-dihydro-2H-chromen-6-yl)ethoxy]ethyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[2-[2-(3,4-dihydro-2H-chromen-6-yl)ethoxy]ethyl]-2-methoxyethanamine
PubChem CID65305123
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-[2-[2-(3,4-dihydro-2H-chromen-6-yl)ethoxy]ethyl]-2-methoxyethanamine
SMILESCOCCNCCOCCc1ccc2c(c1)CCCO2
InChIInChI=1S/C16H25NO3/c1-18-11-7-17-8-12-19-10-6-14-4-5-16-15(13-14)3-2-9-20-16/h4-5,13,17H,2-3,6-12H2,1H3
InChIKeyDVTIJOIGGWLKAB-UHFFFAOYSA-N
XLogP1.81
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3,4-dihydro-2H-chromen-6-yl)ethoxy]ethanamine
CID 65305296
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-ethoxyethyl)ethanamine
CID 65431785
6-(methoxymethyl)-3,4-dihydro-2H-chromene
CID 116932250
methyl 2-[2-(3,4-dihydro-2H-chromen-6-yl)ethylamino]acetate
CID 115233066
2-(3,4-dihydro-2H-chromen-6-yl)-N-(methoxymethyl)-N-methylethanamine
CID 115259053
2-[2-(3,4-dihydro-2H-chromen-6-yl)ethylamino]ethanol
CID 96659085
1-(3,4-dihydro-2H-chromen-6-yl)-N-(methoxymethyl)methanamine
CID 115258559
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxyethyl)pentan-1-amine
CID 65300712
6-(3,4-dihydro-2H-chromen-6-yl)-N-ethylhexan-1-amine
CID 65306061
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-2-methylpropan-2-amine
CID 65444502
2-(3,4-dihydro-2H-chromen-6-yl)-N-(hydrazinylmethyl)ethanamine
CID 115261148
N-[2-[2-(3,4-diethylphenyl)ethoxy]ethyl]-2-methoxyethanamine
CID 115483390

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3,4-dihydro-2H-chromen-6-yl)ethoxy]ethyl]-2-methoxyethanamine?
The IUPAC name of N-[2-[2-(3,4-dihydro-2H-chromen-6-yl)ethoxy]ethyl]-2-methoxyethanamine (CID 65305123) is N-[2-[2-(3,4-dihydro-2H-chromen-6-yl)ethoxy]ethyl]-2-methoxyethanamine.
What is the SMILES notation for N-[2-[2-(3,4-dihydro-2H-chromen-6-yl)ethoxy]ethyl]-2-methoxyethanamine?
The canonical SMILES for N-[2-[2-(3,4-dihydro-2H-chromen-6-yl)ethoxy]ethyl]-2-methoxyethanamine is COCCNCCOCCc1ccc2c(c1)CCCO2.
What is the InChIKey of N-[2-[2-(3,4-dihydro-2H-chromen-6-yl)ethoxy]ethyl]-2-methoxyethanamine?
The InChIKey is DVTIJOIGGWLKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-18-11-7-17-8-12-19-10-6-14-4-5-16-15(13-14)3-2-9-20-16/h4-5,13,17H,2-3,6-12H2,1H3.
What are the key properties of N-[2-[2-(3,4-dihydro-2H-chromen-6-yl)ethoxy]ethyl]-2-methoxyethanamine?
N-[2-[2-(3,4-dihydro-2H-chromen-6-yl)ethoxy]ethyl]-2-methoxyethanamine has a molecular weight of 279.38 g/mol, XLogP of 1.81, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3,4-dihydro-2H-chromen-6-yl)ethoxy]ethyl]-2-methoxyethanamine is sourced from PubChem (CID 65305123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).