2-[2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethoxy]ethanol

C17H27NO2 — CID 111332758

IUPAC2-[2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethoxy]ethanol
SMILESCCCN(CCOCCO)C1CCc2ccccc2C1
InChIInChI=1S/C17H27NO2/c1-2-9-18(10-12-20-13-11-19)17-8-7-15-5-3-4-6-16(15)14-17/h3-6,17,19H,2,7-14H2,1H3
InChIKeyMYDRNWXYDQEJBX-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.26
Rot. Bonds8

About 2-[2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethoxy]ethanol

2-[2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethoxy]ethanol (PubChem CID 111332758) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethoxy]ethanol
PubChem CID111332758
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-[2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethoxy]ethanol
SMILESCCCN(CCOCCO)C1CCc2ccccc2C1
InChIInChI=1S/C17H27NO2/c1-2-9-18(10-12-20-13-11-19)17-8-7-15-5-3-4-6-16(15)14-17/h3-6,17,19H,2,7-14H2,1H3
InChIKeyMYDRNWXYDQEJBX-UHFFFAOYSA-N
XLogP2.26
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propanenitrile
CID 47540982
2-[propyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]acetamide
CID 94199166
N-(2-methylsulfonylethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 47540985
4-[propyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butanenitrile
CID 95172612
(6S)-6-[2-butoxyethyl(propyl)amino]-5,6,7,8-tetrahydronaphthalene-1,2-diol
CID 15228242
(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 6603866
N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 119930879
1-(azepan-1-yl)-2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethanone
CID 60585166
2-[2-[diethyl(methyl)azaniumyl]ethyl-(1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl-diethyl-methylazanium diiodide
CID 24833666
(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-ol bromide
CID 51371143
(2S)-2-amino-N-propyl-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide
CID 124591510
2-[2,3-dihydro-1H-inden-2-yl(propyl)amino]acetic acid
CID 65065076

Frequently Asked Questions

What is the IUPAC name of 2-[2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethoxy]ethanol (CID 111332758) is 2-[2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethoxy]ethanol is CCCN(CCOCCO)C1CCc2ccccc2C1.
What is the InChIKey of 2-[2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethoxy]ethanol?
The InChIKey is MYDRNWXYDQEJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-2-9-18(10-12-20-13-11-19)17-8-7-15-5-3-4-6-16(15)14-17/h3-6,17,19H,2,7-14H2,1H3.
What are the key properties of 2-[2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethoxy]ethanol?
2-[2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethoxy]ethanol has a molecular weight of 277.41 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethoxy]ethanol is sourced from PubChem (CID 111332758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).