1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-methoxyethylamino)ethanol

C14H21NO3 — CID 114747435

IUPAC1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-methoxyethylamino)ethanol
SMILESCOCCNCC(O)c1cccc2c1OCCC2
InChIInChI=1S/C14H21NO3/c1-17-9-7-15-10-13(16)12-6-2-4-11-5-3-8-18-14(11)12/h2,4,6,13,15-16H,3,5,7-10H2,1H3
InChIKeyNJJZCFXLLJRWJC-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.28
Rot. Bonds6

About 1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-methoxyethylamino)ethanol

1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-methoxyethylamino)ethanol (PubChem CID 114747435) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-methoxyethylamino)ethanol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-methoxyethylamino)ethanol
PubChem CID114747435
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-methoxyethylamino)ethanol
SMILESCOCCNCC(O)c1cccc2c1OCCC2
InChIInChI=1S/C14H21NO3/c1-17-9-7-15-10-13(16)12-6-2-4-11-5-3-8-18-14(11)12/h2,4,6,13,15-16H,3,5,7-10H2,1H3
InChIKeyNJJZCFXLLJRWJC-UHFFFAOYSA-N
XLogP1.28
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dihydro-2H-chromen-8-yl)-3-methoxypropan-1-amine
CID 114745115
3-(3,4-dihydro-2H-chromen-8-yl)-N-(2-methoxyethyl)propan-1-amine
CID 114746898
1-(3,4-dihydro-2H-chromen-8-yl)-4-methoxybutan-1-amine
CID 114745442
1-(3,4-dihydro-2H-chromen-8-yl)-4-methoxy-N-propylbutan-1-amine
CID 114745447
1-(3,4-dihydro-2H-chromen-8-yl)-3-(dimethylamino)propan-1-ol
CID 114744719
1-(3,4-dihydro-2H-chromen-8-yl)-2-methylbutan-1-ol
CID 114743364
3,4-dihydro-2H-chromen-8-yl-[4-(methoxymethyl)phenyl]methanol
CID 114743509
1-(3,4-dihydro-2H-chromen-8-yl)-2-propylsulfanylethanol
CID 114744556
1-(3,4-dihydro-2H-chromen-8-yl)-2-thiophen-3-ylethanol
CID 105130684
1-(3,4-dihydro-2H-chromen-8-yl)-2,4-dimethylpentan-1-ol
CID 114200584
1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-fluorophenyl)ethanol
CID 114744473
1-(3,4-dihydro-2H-chromen-8-yl)-3-pyridin-2-ylpropan-1-ol
CID 105130678

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-methoxyethylamino)ethanol?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-methoxyethylamino)ethanol (CID 114747435) is 1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-methoxyethylamino)ethanol.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-methoxyethylamino)ethanol?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-methoxyethylamino)ethanol is COCCNCC(O)c1cccc2c1OCCC2.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-methoxyethylamino)ethanol?
The InChIKey is NJJZCFXLLJRWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-17-9-7-15-10-13(16)12-6-2-4-11-5-3-8-18-14(11)12/h2,4,6,13,15-16H,3,5,7-10H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-methoxyethylamino)ethanol?
1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-methoxyethylamino)ethanol has a molecular weight of 251.33 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-methoxyethylamino)ethanol is sourced from PubChem (CID 114747435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).