2-[2-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]ethoxy]ethanol

C14H21NO4 — CID 43771494

IUPAC2-[2-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]ethoxy]ethanol
SMILESCOc1ccc2c(c1)C(NCCOCCO)CCO2
InChIInChI=1S/C14H21NO4/c1-17-11-2-3-14-12(10-11)13(4-7-19-14)15-5-8-18-9-6-16/h2-3,10,13,15-16H,4-9H2,1H3
InChIKeyKEYKBNLBEKHPDM-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.12
Rot. Bonds7

About 2-[2-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]ethoxy]ethanol

2-[2-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]ethoxy]ethanol (PubChem CID 43771494) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-[2-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]ethoxy]ethanol
PubChem CID43771494
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-[2-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]ethoxy]ethanol
SMILESCOc1ccc2c(c1)C(NCCOCCO)CCO2
InChIInChI=1S/C14H21NO4/c1-17-11-2-3-14-12(10-11)13(4-7-19-14)15-5-8-18-9-6-16/h2-3,10,13,15-16H,4-9H2,1H3
InChIKeyKEYKBNLBEKHPDM-UHFFFAOYSA-N
XLogP1.12
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-N-(2-methoxyethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43756306
6-methoxy-N-(3-methylsulfinylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 115721100
6-methoxy-N-(4-methylpentyl)-3,4-dihydro-2H-chromen-4-amine
CID 54914211
6-methoxy-N-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-4-amine
CID 103522678
(2R)-1-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-ol
CID 113349398
N'-butan-2-yl-N-(6-methoxy-3,4-dihydro-2H-chromen-4-yl)-N'-methylethane-1,2-diamine
CID 103780845
N-benzyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 12851988
1,1-difluoro-3-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-ol
CID 103788069
6-methoxy-N-(2-prop-2-enylsulfanylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 103901426
N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-N',N'-dimethylethane-1,2-diamine
CID 126780788
6-methoxy-N-(thian-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 115720011
N-(2-cyclopropylpropyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 115713963

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]ethoxy]ethanol (CID 43771494) is 2-[2-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]ethoxy]ethanol is COc1ccc2c(c1)C(NCCOCCO)CCO2.
What is the InChIKey of 2-[2-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]ethoxy]ethanol?
The InChIKey is KEYKBNLBEKHPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-17-11-2-3-14-12(10-11)13(4-7-19-14)15-5-8-18-9-6-16/h2-3,10,13,15-16H,4-9H2,1H3.
What are the key properties of 2-[2-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]ethoxy]ethanol?
2-[2-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]ethoxy]ethanol has a molecular weight of 267.32 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]ethoxy]ethanol is sourced from PubChem (CID 43771494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).