6-bromo-N-pentyl-1,2,3,4-tetrahydronaphthalen-2-amine

C15H22BrN — CID 55248454

IUPAC6-bromo-N-pentyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCCCNC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C15H22BrN/c1-2-3-4-9-17-15-8-6-12-10-14(16)7-5-13(12)11-15/h5,7,10,15,17H,2-4,6,8-9,11H2,1H3
InChIKeyVGRDLEQIFQXFOY-UHFFFAOYSA-N
MW296.25 g/mol
LogP4.09
Rot. Bonds5

About 6-bromo-N-pentyl-1,2,3,4-tetrahydronaphthalen-2-amine

6-bromo-N-pentyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 55248454) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is 6-bromo-N-pentyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-pentyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID55248454
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC Name6-bromo-N-pentyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCCCNC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C15H22BrN/c1-2-3-4-9-17-15-8-6-12-10-14(16)7-5-13(12)11-15/h5,7,10,15,17H,2-4,6,8-9,11H2,1H3
InChIKeyVGRDLEQIFQXFOY-UHFFFAOYSA-N
XLogP4.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-pentyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 6-bromo-N-pentyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 55248454) is 6-bromo-N-pentyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-pentyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 6-bromo-N-pentyl-1,2,3,4-tetrahydronaphthalen-2-amine is CCCCCNC1CCc2cc(Br)ccc2C1.
What is the InChIKey of 6-bromo-N-pentyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is VGRDLEQIFQXFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN/c1-2-3-4-9-17-15-8-6-12-10-14(16)7-5-13(12)11-15/h5,7,10,15,17H,2-4,6,8-9,11H2,1H3.
What are the key properties of 6-bromo-N-pentyl-1,2,3,4-tetrahydronaphthalen-2-amine?
6-bromo-N-pentyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 296.25 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-pentyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 55248454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).