2-[methyl-[2-(2-naphthalen-1-yloxyethoxy)ethyl]amino]ethanol

C17H23NO3 — CID 5226785

IUPAC2-[methyl-[2-(2-naphthalen-1-yloxyethoxy)ethyl]amino]ethanol
SMILESCN(CCO)CCOCCOc1cccc2ccccc12
InChIInChI=1S/C17H23NO3/c1-18(9-11-19)10-12-20-13-14-21-17-8-4-6-15-5-2-3-7-16(15)17/h2-8,19H,9-14H2,1H3
InChIKeyRTKIKFKAHJNQDP-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.16
Rot. Bonds9

About 2-[methyl-[2-(2-naphthalen-1-yloxyethoxy)ethyl]amino]ethanol

2-[methyl-[2-(2-naphthalen-1-yloxyethoxy)ethyl]amino]ethanol (PubChem CID 5226785) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[methyl-[2-(2-naphthalen-1-yloxyethoxy)ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[methyl-[2-(2-naphthalen-1-yloxyethoxy)ethyl]amino]ethanol
PubChem CID5226785
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name2-[methyl-[2-(2-naphthalen-1-yloxyethoxy)ethyl]amino]ethanol
SMILESCN(CCO)CCOCCOc1cccc2ccccc12
InChIInChI=1S/C17H23NO3/c1-18(9-11-19)10-12-20-13-14-21-17-8-4-6-15-5-2-3-7-16(15)17/h2-8,19H,9-14H2,1H3
InChIKeyRTKIKFKAHJNQDP-UHFFFAOYSA-N
XLogP2.16
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.16
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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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(2-naphthalen-1-yloxyethoxy)ethyl]amino]ethanol?
The IUPAC name of 2-[methyl-[2-(2-naphthalen-1-yloxyethoxy)ethyl]amino]ethanol (CID 5226785) is 2-[methyl-[2-(2-naphthalen-1-yloxyethoxy)ethyl]amino]ethanol.
What is the SMILES notation for 2-[methyl-[2-(2-naphthalen-1-yloxyethoxy)ethyl]amino]ethanol?
The canonical SMILES for 2-[methyl-[2-(2-naphthalen-1-yloxyethoxy)ethyl]amino]ethanol is CN(CCO)CCOCCOc1cccc2ccccc12.
What is the InChIKey of 2-[methyl-[2-(2-naphthalen-1-yloxyethoxy)ethyl]amino]ethanol?
The InChIKey is RTKIKFKAHJNQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-18(9-11-19)10-12-20-13-14-21-17-8-4-6-15-5-2-3-7-16(15)17/h2-8,19H,9-14H2,1H3.
What are the key properties of 2-[methyl-[2-(2-naphthalen-1-yloxyethoxy)ethyl]amino]ethanol?
2-[methyl-[2-(2-naphthalen-1-yloxyethoxy)ethyl]amino]ethanol has a molecular weight of 289.38 g/mol, XLogP of 2.16, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(2-naphthalen-1-yloxyethoxy)ethyl]amino]ethanol is sourced from PubChem (CID 5226785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).