6-phenyl-3-propan-2-ylquinolin-2-amine

C18H18N2 — CID 63231770

IUPAC6-phenyl-3-propan-2-ylquinolin-2-amine
SMILESCC(C)c1cc2cc(-c3ccccc3)ccc2nc1N
InChIInChI=1S/C18H18N2/c1-12(2)16-11-15-10-14(13-6-4-3-5-7-13)8-9-17(15)20-18(16)19/h3-12H,1-2H3,(H2,19,20)
InChIKeyVXJSYHQXJGJKKA-UHFFFAOYSA-N
MW262.36 g/mol
LogP4.61
Rot. Bonds2

About 6-phenyl-3-propan-2-ylquinolin-2-amine

6-phenyl-3-propan-2-ylquinolin-2-amine (PubChem CID 63231770) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 6-phenyl-3-propan-2-ylquinolin-2-amine.

Molecular Properties

Compound Name6-phenyl-3-propan-2-ylquinolin-2-amine
PubChem CID63231770
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name6-phenyl-3-propan-2-ylquinolin-2-amine
SMILESCC(C)c1cc2cc(-c3ccccc3)ccc2nc1N
InChIInChI=1S/C18H18N2/c1-12(2)16-11-15-10-14(13-6-4-3-5-7-13)8-9-17(15)20-18(16)19/h3-12H,1-2H3,(H2,19,20)
InChIKeyVXJSYHQXJGJKKA-UHFFFAOYSA-N
XLogP4.61
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-3-propan-2-ylquinolin-2-amine?
The IUPAC name of 6-phenyl-3-propan-2-ylquinolin-2-amine (CID 63231770) is 6-phenyl-3-propan-2-ylquinolin-2-amine.
What is the SMILES notation for 6-phenyl-3-propan-2-ylquinolin-2-amine?
The canonical SMILES for 6-phenyl-3-propan-2-ylquinolin-2-amine is CC(C)c1cc2cc(-c3ccccc3)ccc2nc1N.
What is the InChIKey of 6-phenyl-3-propan-2-ylquinolin-2-amine?
The InChIKey is VXJSYHQXJGJKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-12(2)16-11-15-10-14(13-6-4-3-5-7-13)8-9-17(15)20-18(16)19/h3-12H,1-2H3,(H2,19,20).
What are the key properties of 6-phenyl-3-propan-2-ylquinolin-2-amine?
6-phenyl-3-propan-2-ylquinolin-2-amine has a molecular weight of 262.36 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-3-propan-2-ylquinolin-2-amine is sourced from PubChem (CID 63231770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).