(1R)-8-bromo-1,2,3,4-tetrahydronaphthalen-1-amine

C10H12BrN — CID 86328574

IUPAC(1R)-8-bromo-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESN[C@@H]1CCCc2cccc(Br)c21
InChIInChI=1S/C10H12BrN/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1,3,5,9H,2,4,6,12H2/t9-/m1/s1
InChIKeyZSWFVACTSWMVQG-SECBINFHSA-N
MW226.12 g/mol
LogP2.79
Rot. Bonds

About (1R)-8-bromo-1,2,3,4-tetrahydronaphthalen-1-amine

(1R)-8-bromo-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 86328574) has the molecular formula C10H12BrN and a molecular weight of 226.12 g/mol. Its IUPAC name is (1R)-8-bromo-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1R)-8-bromo-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID86328574
Molecular FormulaC10H12BrN
Molecular Weight226.12 g/mol
Exact Mass225.02
IUPAC Name(1R)-8-bromo-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESN[C@@H]1CCCc2cccc(Br)c21
InChIInChI=1S/C10H12BrN/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1,3,5,9H,2,4,6,12H2/t9-/m1/s1
InChIKeyZSWFVACTSWMVQG-SECBINFHSA-N
XLogP2.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.12
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-8-bromo-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1R)-8-bromo-1,2,3,4-tetrahydronaphthalen-1-amine (CID 86328574) is (1R)-8-bromo-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1R)-8-bromo-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1R)-8-bromo-1,2,3,4-tetrahydronaphthalen-1-amine is N[C@@H]1CCCc2cccc(Br)c21.
What is the InChIKey of (1R)-8-bromo-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is ZSWFVACTSWMVQG-SECBINFHSA-N. The full InChI is InChI=1S/C10H12BrN/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1,3,5,9H,2,4,6,12H2/t9-/m1/s1.
What are the key properties of (1R)-8-bromo-1,2,3,4-tetrahydronaphthalen-1-amine?
(1R)-8-bromo-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 226.12 g/mol, XLogP of 2.79, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-8-bromo-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 86328574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).