(3,5-difluorophenyl)-quinolin-5-ylmethanamine

C16H12F2N2 — CID 81231952

IUPAC(3,5-difluorophenyl)-quinolin-5-ylmethanamine
SMILESNC(c1cc(F)cc(F)c1)c1cccc2ncccc12
InChIInChI=1S/C16H12F2N2/c17-11-7-10(8-12(18)9-11)16(19)14-3-1-5-15-13(14)4-2-6-20-15/h1-9,16H,19H2
InChIKeyQYZBVYQXEIQFRJ-UHFFFAOYSA-N
MW270.28 g/mol
LogP3.56
Rot. Bonds2

About (3,5-difluorophenyl)-quinolin-5-ylmethanamine

(3,5-difluorophenyl)-quinolin-5-ylmethanamine (PubChem CID 81231952) has the molecular formula C16H12F2N2 and a molecular weight of 270.28 g/mol. Its IUPAC name is (3,5-difluorophenyl)-quinolin-5-ylmethanamine.

Molecular Properties

Compound Name(3,5-difluorophenyl)-quinolin-5-ylmethanamine
PubChem CID81231952
Molecular FormulaC16H12F2N2
Molecular Weight270.28 g/mol
Exact Mass270.10
IUPAC Name(3,5-difluorophenyl)-quinolin-5-ylmethanamine
SMILESNC(c1cc(F)cc(F)c1)c1cccc2ncccc12
InChIInChI=1S/C16H12F2N2/c17-11-7-10(8-12(18)9-11)16(19)14-3-1-5-15-13(14)4-2-6-20-15/h1-9,16H,19H2
InChIKeyQYZBVYQXEIQFRJ-UHFFFAOYSA-N
XLogP3.56
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-fluoro-3-pyridinyl)-quinolin-5-ylmethanamine
CID 105102211
(3-chloro-4-fluorophenyl)-quinolin-5-ylmethanamine
CID 81231315
(2-chloro-5-fluorophenyl)-quinolin-5-ylmethanamine
CID 105396959
(3-bromo-5-methylphenyl)-quinolin-5-ylmethanamine
CID 105020152
[3-[amino(quinolin-4-yl)methyl]phenyl]-quinolin-4-ylmethanamine
CID 67722769
(2-fluoro-5-methylphenyl)-quinolin-5-ylmethanamine
CID 105020084
(2-chlorophenyl)-quinolin-5-ylmethanamine
CID 81231454
(1R)-1-quinolin-5-ylethanamine
CID 55277010
(2-fluoro-3-methoxyphenyl)-quinolin-5-ylmethanamine
CID 105174775
2-(3-bromo-5-fluorophenyl)-1-quinolin-5-ylethanamine
CID 105169391
(3-methoxy-4-methylphenyl)-quinolin-5-ylmethanamine
CID 105020144
(4-chloro-3-methoxyphenyl)-quinolin-5-ylmethanamine
CID 105164518

Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-quinolin-5-ylmethanamine?
The IUPAC name of (3,5-difluorophenyl)-quinolin-5-ylmethanamine (CID 81231952) is (3,5-difluorophenyl)-quinolin-5-ylmethanamine.
What is the SMILES notation for (3,5-difluorophenyl)-quinolin-5-ylmethanamine?
The canonical SMILES for (3,5-difluorophenyl)-quinolin-5-ylmethanamine is NC(c1cc(F)cc(F)c1)c1cccc2ncccc12.
What is the InChIKey of (3,5-difluorophenyl)-quinolin-5-ylmethanamine?
The InChIKey is QYZBVYQXEIQFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2/c17-11-7-10(8-12(18)9-11)16(19)14-3-1-5-15-13(14)4-2-6-20-15/h1-9,16H,19H2.
What are the key properties of (3,5-difluorophenyl)-quinolin-5-ylmethanamine?
(3,5-difluorophenyl)-quinolin-5-ylmethanamine has a molecular weight of 270.28 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-quinolin-5-ylmethanamine is sourced from PubChem (CID 81231952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).