3-(3-phenylphenyl)-3,4-dihydroisoquinolin-1-amine

C21H18N2 — CID 16730840

IUPAC3-(3-phenylphenyl)-3,4-dihydroisoquinolin-1-amine
SMILESNC1=NC(c2cccc(-c3ccccc3)c2)Cc2ccccc21
InChIInChI=1S/C21H18N2/c22-21-19-12-5-4-9-17(19)14-20(23-21)18-11-6-10-16(13-18)15-7-2-1-3-8-15/h1-13,20H,14H2,(H2,22,23)
InChIKeyOWDKEGBQYCWZCC-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.36
Rot. Bonds2

About 3-(3-phenylphenyl)-3,4-dihydroisoquinolin-1-amine

3-(3-phenylphenyl)-3,4-dihydroisoquinolin-1-amine (PubChem CID 16730840) has the molecular formula C21H18N2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-(3-phenylphenyl)-3,4-dihydroisoquinolin-1-amine.

Molecular Properties

Compound Name3-(3-phenylphenyl)-3,4-dihydroisoquinolin-1-amine
PubChem CID16730840
Molecular FormulaC21H18N2
Molecular Weight298.39 g/mol
Exact Mass298.15
IUPAC Name3-(3-phenylphenyl)-3,4-dihydroisoquinolin-1-amine
SMILESNC1=NC(c2cccc(-c3ccccc3)c2)Cc2ccccc21
InChIInChI=1S/C21H18N2/c22-21-19-12-5-4-9-17(19)14-20(23-21)18-11-6-10-16(13-18)15-7-2-1-3-8-15/h1-13,20H,14H2,(H2,22,23)
InChIKeyOWDKEGBQYCWZCC-UHFFFAOYSA-N
XLogP4.36
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylphenyl)-3,4-dihydroisoquinolin-1-amine?
The IUPAC name of 3-(3-phenylphenyl)-3,4-dihydroisoquinolin-1-amine (CID 16730840) is 3-(3-phenylphenyl)-3,4-dihydroisoquinolin-1-amine.
What is the SMILES notation for 3-(3-phenylphenyl)-3,4-dihydroisoquinolin-1-amine?
The canonical SMILES for 3-(3-phenylphenyl)-3,4-dihydroisoquinolin-1-amine is NC1=NC(c2cccc(-c3ccccc3)c2)Cc2ccccc21.
What is the InChIKey of 3-(3-phenylphenyl)-3,4-dihydroisoquinolin-1-amine?
The InChIKey is OWDKEGBQYCWZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2/c22-21-19-12-5-4-9-17(19)14-20(23-21)18-11-6-10-16(13-18)15-7-2-1-3-8-15/h1-13,20H,14H2,(H2,22,23).
What are the key properties of 3-(3-phenylphenyl)-3,4-dihydroisoquinolin-1-amine?
3-(3-phenylphenyl)-3,4-dihydroisoquinolin-1-amine has a molecular weight of 298.39 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylphenyl)-3,4-dihydroisoquinolin-1-amine is sourced from PubChem (CID 16730840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).