(2,3-difluorophenyl)-quinolin-8-ylmethanamine

C16H12F2N2 — CID 105021274

IUPAC(2,3-difluorophenyl)-quinolin-8-ylmethanamine
SMILESNC(c1cccc(F)c1F)c1cccc2cccnc12
InChIInChI=1S/C16H12F2N2/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
InChIKeyYUPYJSJUPYZVTJ-UHFFFAOYSA-N
MW270.28 g/mol
LogP3.56
Rot. Bonds2

About (2,3-difluorophenyl)-quinolin-8-ylmethanamine

(2,3-difluorophenyl)-quinolin-8-ylmethanamine (PubChem CID 105021274) has the molecular formula C16H12F2N2 and a molecular weight of 270.28 g/mol. Its IUPAC name is (2,3-difluorophenyl)-quinolin-8-ylmethanamine.

Molecular Properties

Compound Name(2,3-difluorophenyl)-quinolin-8-ylmethanamine
PubChem CID105021274
Molecular FormulaC16H12F2N2
Molecular Weight270.28 g/mol
Exact Mass270.10
IUPAC Name(2,3-difluorophenyl)-quinolin-8-ylmethanamine
SMILESNC(c1cccc(F)c1F)c1cccc2cccnc12
InChIInChI=1S/C16H12F2N2/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
InChIKeyYUPYJSJUPYZVTJ-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

Analyze (2,3-difluorophenyl)-quinolin-8-ylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-bromo-2-fluorophenyl)-quinolin-8-ylmethanamine
CID 106648293
(2-methylsulfanylphenyl)-quinolin-8-ylmethanamine
CID 105021362
(3-chloro-2-methylphenyl)-quinolin-8-ylmethanamine
CID 107102903
2-(2-bromo-3-fluorophenyl)-1-quinolin-8-ylethanamine
CID 105172118
(2,3-difluorophenyl)-(3-ethyl-2-pyridinyl)methanamine
CID 82730897
1-quinolin-8-ylethane-1,2-diamine
CID 63968089
quinolin-8-yl-(2,4,6-trimethylphenyl)methanamine
CID 115604891
1-(2,6-difluorophenyl)-N-methyl-1-quinolin-8-ylmethanamine
CID 81229518
(2,3-difluorophenyl)-(2-methylpyrimidin-4-yl)methanamine
CID 115530464
quinolin-8-yl(thiophen-3-yl)methanamine
CID 81220765
8-(dichloromethyl)quinoline
CID 19989328
(2-bromophenyl)-(2,3-difluorophenyl)methanamine
CID 63989436

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-quinolin-8-ylmethanamine?
The IUPAC name of (2,3-difluorophenyl)-quinolin-8-ylmethanamine (CID 105021274) is (2,3-difluorophenyl)-quinolin-8-ylmethanamine.
What is the SMILES notation for (2,3-difluorophenyl)-quinolin-8-ylmethanamine?
The canonical SMILES for (2,3-difluorophenyl)-quinolin-8-ylmethanamine is NC(c1cccc(F)c1F)c1cccc2cccnc12.
What is the InChIKey of (2,3-difluorophenyl)-quinolin-8-ylmethanamine?
The InChIKey is YUPYJSJUPYZVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2/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 (2,3-difluorophenyl)-quinolin-8-ylmethanamine?
(2,3-difluorophenyl)-quinolin-8-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 (2,3-difluorophenyl)-quinolin-8-ylmethanamine is sourced from PubChem (CID 105021274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).