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

C16H12BrFN2 — CID 106645567

IUPAC(3-bromo-2-fluorophenyl)-quinolin-2-ylmethanamine
SMILESNC(c1ccc2ccccc2n1)c1cccc(Br)c1F
InChIInChI=1S/C16H12BrFN2/c17-12-6-3-5-11(15(12)18)16(19)14-9-8-10-4-1-2-7-13(10)20-14/h1-9,16H,19H2
InChIKeyDKPZSEPMDYGINT-UHFFFAOYSA-N
MW331.19 g/mol
LogP4.18
Rot. Bonds2

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

(3-bromo-2-fluorophenyl)-quinolin-2-ylmethanamine (PubChem CID 106645567) has the molecular formula C16H12BrFN2 and a molecular weight of 331.19 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-quinolin-2-ylmethanamine.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-quinolin-2-ylmethanamine
PubChem CID106645567
Molecular FormulaC16H12BrFN2
Molecular Weight331.19 g/mol
Exact Mass330.02
IUPAC Name(3-bromo-2-fluorophenyl)-quinolin-2-ylmethanamine
SMILESNC(c1ccc2ccccc2n1)c1cccc(Br)c1F
InChIInChI=1S/C16H12BrFN2/c17-12-6-3-5-11(15(12)18)16(19)14-9-8-10-4-1-2-7-13(10)20-14/h1-9,16H,19H2
InChIKeyDKPZSEPMDYGINT-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

(3-bromo-2-fluorophenyl)-(3-bromoquinolin-2-yl)methanol
CID 106645159
(3-bromofuran-2-yl)-quinolin-2-ylmethanamine
CID 63941679
(3-bromo-2-fluorophenyl)-quinolin-8-ylmethanamine
CID 106648293
(3-bromo-2-fluorophenyl)-(2H-triazol-4-yl)methanamine
CID 106645940
(2,6-difluoro-3-methylphenyl)-quinolin-2-ylmethanamine
CID 82802155
(2-bromophenyl)-(2,3-difluorophenyl)methanamine
CID 63989436
(3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methanamine
CID 106645247
(3-bromo-2-fluorophenyl)-pyrimidin-5-ylmethanamine
CID 106647995
2-(3-bromo-4-fluorophenyl)-1-quinolin-2-ylethanamine
CID 63222850
(2,4-dimethylphenyl)-quinolin-2-ylmethanamine
CID 63222466
(3-bromo-2-fluorophenyl)-(3,5-difluorophenyl)methanamine
CID 106645435
amino(quinolin-2-yl)methanol
CID 154237779

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-quinolin-2-ylmethanamine?
The IUPAC name of (3-bromo-2-fluorophenyl)-quinolin-2-ylmethanamine (CID 106645567) is (3-bromo-2-fluorophenyl)-quinolin-2-ylmethanamine.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-quinolin-2-ylmethanamine?
The canonical SMILES for (3-bromo-2-fluorophenyl)-quinolin-2-ylmethanamine is NC(c1ccc2ccccc2n1)c1cccc(Br)c1F.
What is the InChIKey of (3-bromo-2-fluorophenyl)-quinolin-2-ylmethanamine?
The InChIKey is DKPZSEPMDYGINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN2/c17-12-6-3-5-11(15(12)18)16(19)14-9-8-10-4-1-2-7-13(10)20-14/h1-9,16H,19H2.
What are the key properties of (3-bromo-2-fluorophenyl)-quinolin-2-ylmethanamine?
(3-bromo-2-fluorophenyl)-quinolin-2-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-2-ylmethanamine is sourced from PubChem (CID 106645567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).