4-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]butan-1-ol

C15H23NO2 — CID 65456677

IUPAC4-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]butan-1-ol
SMILESCNC1CCCc2c(OCCCCO)cccc21
InChIInChI=1S/C15H23NO2/c1-16-14-8-4-7-13-12(14)6-5-9-15(13)18-11-3-2-10-17/h5-6,9,14,16-17H,2-4,7-8,10-11H2,1H3
InChIKeyAFXGUUBGDUUXAG-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.43
Rot. Bonds6

About 4-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]butan-1-ol

4-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]butan-1-ol (PubChem CID 65456677) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]butan-1-ol.

Molecular Properties

Compound Name4-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]butan-1-ol
PubChem CID65456677
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]butan-1-ol
SMILESCNC1CCCc2c(OCCCCO)cccc21
InChIInChI=1S/C15H23NO2/c1-16-14-8-4-7-13-12(14)6-5-9-15(13)18-11-3-2-10-17/h5-6,9,14,16-17H,2-4,7-8,10-11H2,1H3
InChIKeyAFXGUUBGDUUXAG-UHFFFAOYSA-N
XLogP2.43
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-butoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65455547
5-(methoxymethoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65455743
1-methoxy-3-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
CID 65455364
N-methyl-5-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65456122
2-methyl-1-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]butan-2-ol
CID 114492127
N-ethyl-5-pentoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65455939
4-(3-ethoxypropoxy)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 65175864
N-methyl-5-(oxolan-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65455735
4-(2-methoxyethoxy)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 63090830
N-cyclopropyl-2-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide
CID 65455358
N-methyl-4-[3-(oxolan-2-yl)propoxy]-2,3-dihydro-1H-inden-1-amine
CID 65158985
N-methyl-5-(pyridin-4-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65456675

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]butan-1-ol?
The IUPAC name of 4-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]butan-1-ol (CID 65456677) is 4-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]butan-1-ol.
What is the SMILES notation for 4-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]butan-1-ol?
The canonical SMILES for 4-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]butan-1-ol is CNC1CCCc2c(OCCCCO)cccc21.
What is the InChIKey of 4-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]butan-1-ol?
The InChIKey is AFXGUUBGDUUXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-16-14-8-4-7-13-12(14)6-5-9-15(13)18-11-3-2-10-17/h5-6,9,14,16-17H,2-4,7-8,10-11H2,1H3.
What are the key properties of 4-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]butan-1-ol?
4-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]butan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]butan-1-ol is sourced from PubChem (CID 65456677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).