6-bromo-N-(3,5-dimethylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine

C18H20BrN — CID 63627793

IUPAC6-bromo-N-(3,5-dimethylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCc1cc(C)cc(NC2CCc3cc(Br)ccc3C2)c1
InChIInChI=1S/C18H20BrN/c1-12-7-13(2)9-18(8-12)20-17-6-4-14-10-16(19)5-3-15(14)11-17/h3,5,7-10,17,20H,4,6,11H2,1-2H3
InChIKeyHNYNOGPBALIIBG-UHFFFAOYSA-N
MW330.27 g/mol
LogP5.04
Rot. Bonds2

About 6-bromo-N-(3,5-dimethylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine

6-bromo-N-(3,5-dimethylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 63627793) has the molecular formula C18H20BrN and a molecular weight of 330.27 g/mol. Its IUPAC name is 6-bromo-N-(3,5-dimethylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-(3,5-dimethylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID63627793
Molecular FormulaC18H20BrN
Molecular Weight330.27 g/mol
Exact Mass329.08
IUPAC Name6-bromo-N-(3,5-dimethylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCc1cc(C)cc(NC2CCc3cc(Br)ccc3C2)c1
InChIInChI=1S/C18H20BrN/c1-12-7-13(2)9-18(8-12)20-17-6-4-14-10-16(19)5-3-15(14)11-17/h3,5,7-10,17,20H,4,6,11H2,1-2H3
InChIKeyHNYNOGPBALIIBG-UHFFFAOYSA-N
XLogP5.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.27
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3,5-dimethylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 6-bromo-N-(3,5-dimethylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 63627793) is 6-bromo-N-(3,5-dimethylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-(3,5-dimethylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 6-bromo-N-(3,5-dimethylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine is Cc1cc(C)cc(NC2CCc3cc(Br)ccc3C2)c1.
What is the InChIKey of 6-bromo-N-(3,5-dimethylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is HNYNOGPBALIIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN/c1-12-7-13(2)9-18(8-12)20-17-6-4-14-10-16(19)5-3-15(14)11-17/h3,5,7-10,17,20H,4,6,11H2,1-2H3.
What are the key properties of 6-bromo-N-(3,5-dimethylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
6-bromo-N-(3,5-dimethylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 330.27 g/mol, XLogP of 5.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3,5-dimethylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 63627793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).