5-(4-methoxybutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine

C15H23NO2 — CID 113436812

IUPAC5-(4-methoxybutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOCCCCOc1cccc2c1CCCC2N
InChIInChI=1S/C15H23NO2/c1-17-10-2-3-11-18-15-9-5-6-12-13(15)7-4-8-14(12)16/h5-6,9,14H,2-4,7-8,10-11,16H2,1H3
InChIKeyRXYMJYPSEJMWBA-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.83
Rot. Bonds6

About 5-(4-methoxybutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine

5-(4-methoxybutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 113436812) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 5-(4-methoxybutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name5-(4-methoxybutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID113436812
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name5-(4-methoxybutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOCCCCOc1cccc2c1CCCC2N
InChIInChI=1S/C15H23NO2/c1-17-10-2-3-11-18-15-9-5-6-12-13(15)7-4-8-14(12)16/h5-6,9,14H,2-4,7-8,10-11,16H2,1H3
InChIKeyRXYMJYPSEJMWBA-UHFFFAOYSA-N
XLogP2.83
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.83
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

(1R)-5-[2-[4-[2-[[(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]ethyl]phenyl]ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 162767640
4-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2-methylbutan-2-ol
CID 79360240
5-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65454398
5-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65454391
5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 70349932
5-[3-(2,2,2-trifluoroethoxy)propoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65456111
5-[2-(trifluoromethylsulfanyl)ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 116615123
5-[(Z)-3-chloro-2-methylprop-2-enoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106437029
methyl 3-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2,2-dimethylpropanoate
CID 79629209
5-(3-methoxypropoxy)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65454433
5-[2-(1-methylpyrazol-4-yl)ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 102999836
4-(2-butoxyethoxy)-2,3-dihydro-1H-inden-1-amine
CID 55182395

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxybutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 5-(4-methoxybutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 113436812) is 5-(4-methoxybutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 5-(4-methoxybutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 5-(4-methoxybutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine is COCCCCOc1cccc2c1CCCC2N.
What is the InChIKey of 5-(4-methoxybutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is RXYMJYPSEJMWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-17-10-2-3-11-18-15-9-5-6-12-13(15)7-4-8-14(12)16/h5-6,9,14H,2-4,7-8,10-11,16H2,1H3.
What are the key properties of 5-(4-methoxybutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine?
5-(4-methoxybutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 249.35 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxybutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 113436812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).