2-(4-methoxybutyl)-1,2,3,4-tetrahydronaphthalen-1-amine

C15H23NO — CID 104648344

IUPAC2-(4-methoxybutyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOCCCCC1CCc2ccccc2C1N
InChIInChI=1S/C15H23NO/c1-17-11-5-4-7-13-10-9-12-6-2-3-8-14(12)15(13)16/h2-3,6,8,13,15H,4-5,7,9-11,16H2,1H3
InChIKeyWBGPQOFTWWJQNY-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.07
Rot. Bonds5

About 2-(4-methoxybutyl)-1,2,3,4-tetrahydronaphthalen-1-amine

2-(4-methoxybutyl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 104648344) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-(4-methoxybutyl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name2-(4-methoxybutyl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID104648344
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-(4-methoxybutyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOCCCCC1CCc2ccccc2C1N
InChIInChI=1S/C15H23NO/c1-17-11-5-4-7-13-10-9-12-6-2-3-8-14(12)15(13)16/h2-3,6,8,13,15H,4-5,7,9-11,16H2,1H3
InChIKeyWBGPQOFTWWJQNY-UHFFFAOYSA-N
XLogP3.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-2-(4-methoxybutyl)-1,2,3,4-tetrahydronaphthalene
CID 104649053
2-(2-phenylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79228619
[(1S,2S)-1-amino-1,2,3,4-tetrahydronaphthalen-2-yl]methanol
CID 96762744
2-N-ethyl-2-N-(2-methoxyethyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 61447898
6-(3-methoxypropylsulfinyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 64657442
5-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-1-amine
CID 112754245
6-(3-ethylsulfonylpropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 65098347
2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 104565816
2-(2-ethylhexyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 55185776
3-(3-methoxypropylsulfanyl)-3,4-dihydro-2H-chromen-4-amine
CID 64625862
2-hexyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 63460691
3-[2,3-dihydro-1H-inden-1-yl(3-methoxypropyl)amino]propan-1-ol
CID 111333716

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxybutyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 2-(4-methoxybutyl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 104648344) is 2-(4-methoxybutyl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 2-(4-methoxybutyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 2-(4-methoxybutyl)-1,2,3,4-tetrahydronaphthalen-1-amine is COCCCCC1CCc2ccccc2C1N.
What is the InChIKey of 2-(4-methoxybutyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is WBGPQOFTWWJQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-17-11-5-4-7-13-10-9-12-6-2-3-8-14(12)15(13)16/h2-3,6,8,13,15H,4-5,7,9-11,16H2,1H3.
What are the key properties of 2-(4-methoxybutyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
2-(4-methoxybutyl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 233.35 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxybutyl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 104648344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).