6-bromo-N-(2-phenylethyl)quinolin-4-amine

C17H15BrN2 — CID 146403450

IUPAC6-bromo-N-(2-phenylethyl)quinolin-4-amine
SMILESBrc1ccc2nccc(NCCc3ccccc3)c2c1
InChIInChI=1S/C17H15BrN2/c18-14-6-7-16-15(12-14)17(9-11-20-16)19-10-8-13-4-2-1-3-5-13/h1-7,9,11-12H,8,10H2,(H,19,20)
InChIKeyMNCXVBFGULMEOC-UHFFFAOYSA-N
MW327.23 g/mol
LogP4.65
Rot. Bonds4

About 6-bromo-N-(2-phenylethyl)quinolin-4-amine

6-bromo-N-(2-phenylethyl)quinolin-4-amine (PubChem CID 146403450) has the molecular formula C17H15BrN2 and a molecular weight of 327.23 g/mol. Its IUPAC name is 6-bromo-N-(2-phenylethyl)quinolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-(2-phenylethyl)quinolin-4-amine
PubChem CID146403450
Molecular FormulaC17H15BrN2
Molecular Weight327.23 g/mol
Exact Mass326.04
IUPAC Name6-bromo-N-(2-phenylethyl)quinolin-4-amine
SMILESBrc1ccc2nccc(NCCc3ccccc3)c2c1
InChIInChI=1S/C17H15BrN2/c18-14-6-7-16-15(12-14)17(9-11-20-16)19-10-8-13-4-2-1-3-5-13/h1-7,9,11-12H,8,10H2,(H,19,20)
InChIKeyMNCXVBFGULMEOC-UHFFFAOYSA-N
XLogP4.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.23
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-phenylethyl)quinolin-4-amine?
The IUPAC name of 6-bromo-N-(2-phenylethyl)quinolin-4-amine (CID 146403450) is 6-bromo-N-(2-phenylethyl)quinolin-4-amine.
What is the SMILES notation for 6-bromo-N-(2-phenylethyl)quinolin-4-amine?
The canonical SMILES for 6-bromo-N-(2-phenylethyl)quinolin-4-amine is Brc1ccc2nccc(NCCc3ccccc3)c2c1.
What is the InChIKey of 6-bromo-N-(2-phenylethyl)quinolin-4-amine?
The InChIKey is MNCXVBFGULMEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2/c18-14-6-7-16-15(12-14)17(9-11-20-16)19-10-8-13-4-2-1-3-5-13/h1-7,9,11-12H,8,10H2,(H,19,20).
What are the key properties of 6-bromo-N-(2-phenylethyl)quinolin-4-amine?
6-bromo-N-(2-phenylethyl)quinolin-4-amine has a molecular weight of 327.23 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-phenylethyl)quinolin-4-amine is sourced from PubChem (CID 146403450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).