(3-bromo-2-fluorophenyl)-quinolin-8-ylmethanamine

C16H12BrFN2 — CID 106648293

IUPAC(3-bromo-2-fluorophenyl)-quinolin-8-ylmethanamine
SMILESNC(c1cccc(Br)c1F)c1cccc2cccnc12
InChIInChI=1S/C16H12BrFN2/c17-13-8-2-6-11(14(13)18)15(19)12-7-1-4-10-5-3-9-20-16(10)12/h1-9,15H,19H2
InChIKeyXEEUDUJDZYHJKH-UHFFFAOYSA-N
MW331.19 g/mol
LogP4.18
Rot. Bonds2

About (3-bromo-2-fluorophenyl)-quinolin-8-ylmethanamine

(3-bromo-2-fluorophenyl)-quinolin-8-ylmethanamine (PubChem CID 106648293) has the molecular formula C16H12BrFN2 and a molecular weight of 331.19 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-quinolin-8-ylmethanamine.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-quinolin-8-ylmethanamine
PubChem CID106648293
Molecular FormulaC16H12BrFN2
Molecular Weight331.19 g/mol
Exact Mass330.02
IUPAC Name(3-bromo-2-fluorophenyl)-quinolin-8-ylmethanamine
SMILESNC(c1cccc(Br)c1F)c1cccc2cccnc12
InChIInChI=1S/C16H12BrFN2/c17-13-8-2-6-11(14(13)18)15(19)12-7-1-4-10-5-3-9-20-16(10)12/h1-9,15H,19H2
InChIKeyXEEUDUJDZYHJKH-UHFFFAOYSA-N
XLogP4.18
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.19
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-difluorophenyl)-quinolin-8-ylmethanamine
CID 105021274
(2-methylsulfanylphenyl)-quinolin-8-ylmethanamine
CID 105021362
(3-bromo-2-fluorophenyl)-(3-methoxy-2-pyridinyl)methanamine
CID 114054772
1-quinolin-8-ylethane-1,2-diamine
CID 63968089
(3-chloro-2-methylphenyl)-quinolin-8-ylmethanamine
CID 107102903
(3-bromo-2-fluorophenyl)-quinolin-2-ylmethanamine
CID 106645567
(3-bromo-2-fluorophenyl)-(2,4-dibromophenyl)methanamine
CID 107947115
(3-bromo-2-fluorophenyl)-(2,3-dichlorophenyl)methanamine
CID 106648113
2-amino-1-quinolin-8-ylpropan-1-ol
CID 63969290
(3-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine
CID 107985569
2-(2-bromo-3-fluorophenyl)-1-quinolin-8-ylethanamine
CID 105172118
(3-bromo-2-fluorophenyl)-pyrimidin-5-ylmethanamine
CID 106647995

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-quinolin-8-ylmethanamine?
The IUPAC name of (3-bromo-2-fluorophenyl)-quinolin-8-ylmethanamine (CID 106648293) is (3-bromo-2-fluorophenyl)-quinolin-8-ylmethanamine.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-quinolin-8-ylmethanamine?
The canonical SMILES for (3-bromo-2-fluorophenyl)-quinolin-8-ylmethanamine is NC(c1cccc(Br)c1F)c1cccc2cccnc12.
What is the InChIKey of (3-bromo-2-fluorophenyl)-quinolin-8-ylmethanamine?
The InChIKey is XEEUDUJDZYHJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN2/c17-13-8-2-6-11(14(13)18)15(19)12-7-1-4-10-5-3-9-20-16(10)12/h1-9,15H,19H2.
What are the key properties of (3-bromo-2-fluorophenyl)-quinolin-8-ylmethanamine?
(3-bromo-2-fluorophenyl)-quinolin-8-ylmethanamine has a molecular weight of 331.19 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-fluorophenyl)-quinolin-8-ylmethanamine is sourced from PubChem (CID 106648293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).