1-[2-(bromomethyl)butoxy]-1,2,3,4-tetrahydronaphthalene

C15H21BrO — CID 64994914

IUPAC1-[2-(bromomethyl)butoxy]-1,2,3,4-tetrahydronaphthalene
SMILESCCC(CBr)COC1CCCc2ccccc21
InChIInChI=1S/C15H21BrO/c1-2-12(10-16)11-17-15-9-5-7-13-6-3-4-8-14(13)15/h3-4,6,8,12,15H,2,5,7,9-11H2,1H3
InChIKeyUZLQWGXOOFRRMJ-UHFFFAOYSA-N
MW297.24 g/mol
LogP4.50
Rot. Bonds5

About 1-[2-(bromomethyl)butoxy]-1,2,3,4-tetrahydronaphthalene

1-[2-(bromomethyl)butoxy]-1,2,3,4-tetrahydronaphthalene (PubChem CID 64994914) has the molecular formula C15H21BrO and a molecular weight of 297.24 g/mol. Its IUPAC name is 1-[2-(bromomethyl)butoxy]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1-[2-(bromomethyl)butoxy]-1,2,3,4-tetrahydronaphthalene
PubChem CID64994914
Molecular FormulaC15H21BrO
Molecular Weight297.24 g/mol
Exact Mass296.08
IUPAC Name1-[2-(bromomethyl)butoxy]-1,2,3,4-tetrahydronaphthalene
SMILESCCC(CBr)COC1CCCc2ccccc21
InChIInChI=1S/C15H21BrO/c1-2-12(10-16)11-17-15-9-5-7-13-6-3-4-8-14(13)15/h3-4,6,8,12,15H,2,5,7,9-11H2,1H3
InChIKeyUZLQWGXOOFRRMJ-UHFFFAOYSA-N
XLogP4.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(bromomethyl)-3-methylbutoxy]-1,2,3,4-tetrahydronaphthalene
CID 65012285
2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-1-ol
CID 64803202
N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pentan-2-amine
CID 62042774
1-[methyl(propyl)amino]-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol
CID 110909701
(2R)-1-[2-hydroxyethyl(propyl)amino]-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
CID 124804735
N-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]butan-2-amine
CID 62571109
(2R)-1-methylsulfonyl-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
CID 95173175
1-(2-chloroethoxy)-1,2,3,4-tetrahydronaphthalene
CID 43135615
N-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethanamine;hydrochloride
CID 67867639
3-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)butane-1-sulfonyl chloride
CID 65013134
(2S)-1-(4-methylpiperazin-1-yl)-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
CID 2121484
3-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)butane-1-sulfonamide
CID 65012895

Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethyl)butoxy]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1-[2-(bromomethyl)butoxy]-1,2,3,4-tetrahydronaphthalene (CID 64994914) is 1-[2-(bromomethyl)butoxy]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1-[2-(bromomethyl)butoxy]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1-[2-(bromomethyl)butoxy]-1,2,3,4-tetrahydronaphthalene is CCC(CBr)COC1CCCc2ccccc21.
What is the InChIKey of 1-[2-(bromomethyl)butoxy]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is UZLQWGXOOFRRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrO/c1-2-12(10-16)11-17-15-9-5-7-13-6-3-4-8-14(13)15/h3-4,6,8,12,15H,2,5,7,9-11H2,1H3.
What are the key properties of 1-[2-(bromomethyl)butoxy]-1,2,3,4-tetrahydronaphthalene?
1-[2-(bromomethyl)butoxy]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 297.24 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)butoxy]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 64994914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).