6-benzylquinolin-5-amine

C16H14N2 — CID 15441702

IUPAC6-benzylquinolin-5-amine
SMILESNc1c(Cc2ccccc2)ccc2ncccc12
InChIInChI=1S/C16H14N2/c17-16-13(11-12-5-2-1-3-6-12)8-9-15-14(16)7-4-10-18-15/h1-10H,11,17H2
InChIKeyVOVOMCXGGRDIRE-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.41
Rot. Bonds2

About 6-benzylquinolin-5-amine

6-benzylquinolin-5-amine (PubChem CID 15441702) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 6-benzylquinolin-5-amine.

Molecular Properties

Compound Name6-benzylquinolin-5-amine
PubChem CID15441702
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name6-benzylquinolin-5-amine
SMILESNc1c(Cc2ccccc2)ccc2ncccc12
InChIInChI=1S/C16H14N2/c17-16-13(11-12-5-2-1-3-6-12)8-9-15-14(16)7-4-10-18-15/h1-10H,11,17H2
InChIKeyVOVOMCXGGRDIRE-UHFFFAOYSA-N
XLogP3.41
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-benzylquinolin-5-amine?
The IUPAC name of 6-benzylquinolin-5-amine (CID 15441702) is 6-benzylquinolin-5-amine.
What is the SMILES notation for 6-benzylquinolin-5-amine?
The canonical SMILES for 6-benzylquinolin-5-amine is Nc1c(Cc2ccccc2)ccc2ncccc12.
What is the InChIKey of 6-benzylquinolin-5-amine?
The InChIKey is VOVOMCXGGRDIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2/c17-16-13(11-12-5-2-1-3-6-12)8-9-15-14(16)7-4-10-18-15/h1-10H,11,17H2.
What are the key properties of 6-benzylquinolin-5-amine?
6-benzylquinolin-5-amine has a molecular weight of 234.30 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzylquinolin-5-amine is sourced from PubChem (CID 15441702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).