1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene

C11H13Br — CID 13067239

IUPAC1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene
SMILESBrCC1CCCc2ccccc21
InChIInChI=1S/C11H13Br/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-2,4,7,10H,3,5-6,8H2
InChIKeyKALOJGOUZQSEGH-UHFFFAOYSA-N
MW225.13 g/mol
LogP3.50
Rot. Bonds1

About 1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene

1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 13067239) has the molecular formula C11H13Br and a molecular weight of 225.13 g/mol. Its IUPAC name is 1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID13067239
Molecular FormulaC11H13Br
Molecular Weight225.13 g/mol
Exact Mass224.02
IUPAC Name1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene
SMILESBrCC1CCCc2ccccc21
InChIInChI=1S/C11H13Br/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-2,4,7,10H,3,5-6,8H2
InChIKeyKALOJGOUZQSEGH-UHFFFAOYSA-N
XLogP3.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.13
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
1-(iodomethyl)-1,2,3,4-tetrahydronaphthalene
CID 2763030
[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine;hydrochloride
CID 171991657
2-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 114505328
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
7-(bromomethyl)bicyclo[4.2.0]octa-1,3,5-triene
CID 65438345
(1R)-1-prop-2-enyl-1,2,3,4-tetrahydronaphthalene
CID 138977422
2-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]ethanol
CID 63771637
1-(2-bromoethyl)-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine
CID 80678906
N-(2-bromoethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclopropanamine
CID 80668709
N'-(2-aminoethyl)-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethane-1,2-diamine
CID 55242274
4-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butan-2-amine
CID 83188117

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene (CID 13067239) is 1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene is BrCC1CCCc2ccccc21.
What is the InChIKey of 1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is KALOJGOUZQSEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-2,4,7,10H,3,5-6,8H2.
What are the key properties of 1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene?
1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 225.13 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 13067239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).