3-bromo-N-(1-phenylethyl)quinolin-8-amine

C17H15BrN2 — CID 116783523

IUPAC3-bromo-N-(1-phenylethyl)quinolin-8-amine
SMILESCC(Nc1cccc2cc(Br)cnc12)c1ccccc1
InChIInChI=1S/C17H15BrN2/c1-12(13-6-3-2-4-7-13)20-16-9-5-8-14-10-15(18)11-19-17(14)16/h2-12,20H,1H3
InChIKeyIHKHDUVKALZXBI-UHFFFAOYSA-N
MW327.23 g/mol
LogP5.17
Rot. Bonds3

About 3-bromo-N-(1-phenylethyl)quinolin-8-amine

3-bromo-N-(1-phenylethyl)quinolin-8-amine (PubChem CID 116783523) has the molecular formula C17H15BrN2 and a molecular weight of 327.23 g/mol. Its IUPAC name is 3-bromo-N-(1-phenylethyl)quinolin-8-amine.

Molecular Properties

Compound Name3-bromo-N-(1-phenylethyl)quinolin-8-amine
PubChem CID116783523
Molecular FormulaC17H15BrN2
Molecular Weight327.23 g/mol
Exact Mass326.04
IUPAC Name3-bromo-N-(1-phenylethyl)quinolin-8-amine
SMILESCC(Nc1cccc2cc(Br)cnc12)c1ccccc1
InChIInChI=1S/C17H15BrN2/c1-12(13-6-3-2-4-7-13)20-16-9-5-8-14-10-15(18)11-19-17(14)16/h2-12,20H,1H3
InChIKeyIHKHDUVKALZXBI-UHFFFAOYSA-N
XLogP5.17
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.23
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(1-pyridin-4-ylethyl)quinolin-8-amine
CID 116783273
3-bromo-N-[1-(4-fluorophenyl)ethyl]quinolin-8-amine
CID 116783437
3-bromo-N-(1-thiophen-2-ylethyl)quinolin-8-amine
CID 116783435
3-bromo-N-pentan-3-ylquinolin-8-amine
CID 116783436
3-bromo-N-but-3-yn-2-ylquinolin-8-amine
CID 116784222
3-bromo-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]quinolin-8-amine
CID 116783492
3-bromo-N-phenylquinolin-8-amine
CID 86754991
ethyl 3-[(3-bromoquinolin-8-yl)amino]butanoate
CID 116784151
3-bromo-N-[1-(furan-2-yl)propyl]quinolin-8-amine
CID 116783292
N-(3-bromoquinolin-8-yl)-1-(furan-3-yl)ethane-1,2-diamine
CID 116783701
N-(3-bromoquinolin-8-yl)-2-propan-2-yloxyethanesulfonamide
CID 116784833
ethyl 2-[(3-bromoquinolin-8-yl)amino]pentanoate
CID 116784288

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-phenylethyl)quinolin-8-amine?
The IUPAC name of 3-bromo-N-(1-phenylethyl)quinolin-8-amine (CID 116783523) is 3-bromo-N-(1-phenylethyl)quinolin-8-amine.
What is the SMILES notation for 3-bromo-N-(1-phenylethyl)quinolin-8-amine?
The canonical SMILES for 3-bromo-N-(1-phenylethyl)quinolin-8-amine is CC(Nc1cccc2cc(Br)cnc12)c1ccccc1.
What is the InChIKey of 3-bromo-N-(1-phenylethyl)quinolin-8-amine?
The InChIKey is IHKHDUVKALZXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2/c1-12(13-6-3-2-4-7-13)20-16-9-5-8-14-10-15(18)11-19-17(14)16/h2-12,20H,1H3.
What are the key properties of 3-bromo-N-(1-phenylethyl)quinolin-8-amine?
3-bromo-N-(1-phenylethyl)quinolin-8-amine has a molecular weight of 327.23 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1-phenylethyl)quinolin-8-amine is sourced from PubChem (CID 116783523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).