2,5-difluoro-4-(2-methylquinolin-6-yl)aniline

C16H12F2N2 — CID 107615923

IUPAC2,5-difluoro-4-(2-methylquinolin-6-yl)aniline
SMILESCc1ccc2cc(-c3cc(F)c(N)cc3F)ccc2n1
InChIInChI=1S/C16H12F2N2/c1-9-2-3-11-6-10(4-5-16(11)20-9)12-7-14(18)15(19)8-13(12)17/h2-8H,19H2,1H3
InChIKeyMPWZQCFXHIFTAT-UHFFFAOYSA-N
MW270.28 g/mol
LogP4.07
Rot. Bonds1

About 2,5-difluoro-4-(2-methylquinolin-6-yl)aniline

2,5-difluoro-4-(2-methylquinolin-6-yl)aniline (PubChem CID 107615923) has the molecular formula C16H12F2N2 and a molecular weight of 270.28 g/mol. Its IUPAC name is 2,5-difluoro-4-(2-methylquinolin-6-yl)aniline.

Molecular Properties

Compound Name2,5-difluoro-4-(2-methylquinolin-6-yl)aniline
PubChem CID107615923
Molecular FormulaC16H12F2N2
Molecular Weight270.28 g/mol
Exact Mass270.10
IUPAC Name2,5-difluoro-4-(2-methylquinolin-6-yl)aniline
SMILESCc1ccc2cc(-c3cc(F)c(N)cc3F)ccc2n1
InChIInChI=1S/C16H12F2N2/c1-9-2-3-11-6-10(4-5-16(11)20-9)12-7-14(18)15(19)8-13(12)17/h2-8H,19H2,1H3
InChIKeyMPWZQCFXHIFTAT-UHFFFAOYSA-N
XLogP4.07
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethyl-5-(2-methylquinolin-6-yl)imidazol-4-amine
CID 105379314
2,5-difluoro-4-(2-methyl-4-pyridinyl)aniline
CID 107616009
2-methyl-6-naphthalen-1-ylquinoline
CID 58099181
2-methyl-6-(2-methyl-3-pyridinyl)quinoline
CID 90167611
2-fluoro-6-(2-methylquinolin-6-yl)benzonitrile
CID 114898657
2,5-dimethyl-6-(2-methylquinolin-6-yl)pyrimidin-4-amine
CID 81221971
2-fluoro-5-(2-methylquinolin-6-yl)benzoic acid
CID 81229925
2,4-difluoro-5-isoquinolin-7-ylaniline
CID 163369175
2,5-difluoro-4-(4-phenylphenyl)aniline
CID 107615842
6-(2-methylquinolin-6-yl)-5-propan-2-ylpyrimidin-4-amine
CID 81230922
5-(2-methylquinolin-6-yl)-3-propan-2-ylimidazol-4-amine
CID 105379309
3-(2-methylquinolin-6-yl)-1H-pyrazine-2-thione
CID 106519588

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-(2-methylquinolin-6-yl)aniline?
The IUPAC name of 2,5-difluoro-4-(2-methylquinolin-6-yl)aniline (CID 107615923) is 2,5-difluoro-4-(2-methylquinolin-6-yl)aniline.
What is the SMILES notation for 2,5-difluoro-4-(2-methylquinolin-6-yl)aniline?
The canonical SMILES for 2,5-difluoro-4-(2-methylquinolin-6-yl)aniline is Cc1ccc2cc(-c3cc(F)c(N)cc3F)ccc2n1.
What is the InChIKey of 2,5-difluoro-4-(2-methylquinolin-6-yl)aniline?
The InChIKey is MPWZQCFXHIFTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2/c1-9-2-3-11-6-10(4-5-16(11)20-9)12-7-14(18)15(19)8-13(12)17/h2-8H,19H2,1H3.
What are the key properties of 2,5-difluoro-4-(2-methylquinolin-6-yl)aniline?
2,5-difluoro-4-(2-methylquinolin-6-yl)aniline has a molecular weight of 270.28 g/mol, XLogP of 4.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-(2-methylquinolin-6-yl)aniline is sourced from PubChem (CID 107615923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).