6-bromo-3-phenyl-3,4-dihydroisoquinolin-1-amine

C15H13BrN2 — CID 10936656

IUPAC6-bromo-3-phenyl-3,4-dihydroisoquinolin-1-amine
SMILESNC1=NC(c2ccccc2)Cc2cc(Br)ccc21
InChIInChI=1S/C15H13BrN2/c16-12-6-7-13-11(8-12)9-14(18-15(13)17)10-4-2-1-3-5-10/h1-8,14H,9H2,(H2,17,18)
InChIKeyISNQNGVISJCDEL-UHFFFAOYSA-N
MW301.19 g/mol
LogP3.45
Rot. Bonds1

About 6-bromo-3-phenyl-3,4-dihydroisoquinolin-1-amine

6-bromo-3-phenyl-3,4-dihydroisoquinolin-1-amine (PubChem CID 10936656) has the molecular formula C15H13BrN2 and a molecular weight of 301.19 g/mol. Its IUPAC name is 6-bromo-3-phenyl-3,4-dihydroisoquinolin-1-amine.

Molecular Properties

Compound Name6-bromo-3-phenyl-3,4-dihydroisoquinolin-1-amine
PubChem CID10936656
Molecular FormulaC15H13BrN2
Molecular Weight301.19 g/mol
Exact Mass300.03
IUPAC Name6-bromo-3-phenyl-3,4-dihydroisoquinolin-1-amine
SMILESNC1=NC(c2ccccc2)Cc2cc(Br)ccc21
InChIInChI=1S/C15H13BrN2/c16-12-6-7-13-11(8-12)9-14(18-15(13)17)10-4-2-1-3-5-10/h1-8,14H,9H2,(H2,17,18)
InChIKeyISNQNGVISJCDEL-UHFFFAOYSA-N
XLogP3.45
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-phenyl-3,4-dihydroisoquinolin-1-amine?
The IUPAC name of 6-bromo-3-phenyl-3,4-dihydroisoquinolin-1-amine (CID 10936656) is 6-bromo-3-phenyl-3,4-dihydroisoquinolin-1-amine.
What is the SMILES notation for 6-bromo-3-phenyl-3,4-dihydroisoquinolin-1-amine?
The canonical SMILES for 6-bromo-3-phenyl-3,4-dihydroisoquinolin-1-amine is NC1=NC(c2ccccc2)Cc2cc(Br)ccc21.
What is the InChIKey of 6-bromo-3-phenyl-3,4-dihydroisoquinolin-1-amine?
The InChIKey is ISNQNGVISJCDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2/c16-12-6-7-13-11(8-12)9-14(18-15(13)17)10-4-2-1-3-5-10/h1-8,14H,9H2,(H2,17,18).
What are the key properties of 6-bromo-3-phenyl-3,4-dihydroisoquinolin-1-amine?
6-bromo-3-phenyl-3,4-dihydroisoquinolin-1-amine has a molecular weight of 301.19 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-phenyl-3,4-dihydroisoquinolin-1-amine is sourced from PubChem (CID 10936656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).