8-chloro-3-phenyl-3,4-dihydroisoquinolin-1-amine

C15H13ClN2 — CID 18785879

IUPAC8-chloro-3-phenyl-3,4-dihydroisoquinolin-1-amine
SMILESNC1=NC(c2ccccc2)Cc2cccc(Cl)c21
InChIInChI=1S/C15H13ClN2/c16-12-8-4-7-11-9-13(18-15(17)14(11)12)10-5-2-1-3-6-10/h1-8,13H,9H2,(H2,17,18)
InChIKeyQPAHGGACAIYANQ-UHFFFAOYSA-N
MW256.74 g/mol
LogP3.34
Rot. Bonds1

About 8-chloro-3-phenyl-3,4-dihydroisoquinolin-1-amine

8-chloro-3-phenyl-3,4-dihydroisoquinolin-1-amine (PubChem CID 18785879) has the molecular formula C15H13ClN2 and a molecular weight of 256.74 g/mol. Its IUPAC name is 8-chloro-3-phenyl-3,4-dihydroisoquinolin-1-amine.

Molecular Properties

Compound Name8-chloro-3-phenyl-3,4-dihydroisoquinolin-1-amine
PubChem CID18785879
Molecular FormulaC15H13ClN2
Molecular Weight256.74 g/mol
Exact Mass256.08
IUPAC Name8-chloro-3-phenyl-3,4-dihydroisoquinolin-1-amine
SMILESNC1=NC(c2ccccc2)Cc2cccc(Cl)c21
InChIInChI=1S/C15H13ClN2/c16-12-8-4-7-11-9-13(18-15(17)14(11)12)10-5-2-1-3-6-10/h1-8,13H,9H2,(H2,17,18)
InChIKeyQPAHGGACAIYANQ-UHFFFAOYSA-N
XLogP3.34
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-phenyl-3,4-dihydroisoquinolin-1-amine?
The IUPAC name of 8-chloro-3-phenyl-3,4-dihydroisoquinolin-1-amine (CID 18785879) is 8-chloro-3-phenyl-3,4-dihydroisoquinolin-1-amine.
What is the SMILES notation for 8-chloro-3-phenyl-3,4-dihydroisoquinolin-1-amine?
The canonical SMILES for 8-chloro-3-phenyl-3,4-dihydroisoquinolin-1-amine is NC1=NC(c2ccccc2)Cc2cccc(Cl)c21.
What is the InChIKey of 8-chloro-3-phenyl-3,4-dihydroisoquinolin-1-amine?
The InChIKey is QPAHGGACAIYANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2/c16-12-8-4-7-11-9-13(18-15(17)14(11)12)10-5-2-1-3-6-10/h1-8,13H,9H2,(H2,17,18).
What are the key properties of 8-chloro-3-phenyl-3,4-dihydroisoquinolin-1-amine?
8-chloro-3-phenyl-3,4-dihydroisoquinolin-1-amine has a molecular weight of 256.74 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-phenyl-3,4-dihydroisoquinolin-1-amine is sourced from PubChem (CID 18785879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).