2-N-(2-fluoro-4-methylphenyl)quinoline-2,6-diamine

C16H14FN3 — CID 43450982

IUPAC2-N-(2-fluoro-4-methylphenyl)quinoline-2,6-diamine
SMILESCc1ccc(Nc2ccc3cc(N)ccc3n2)c(F)c1
InChIInChI=1S/C16H14FN3/c1-10-2-5-15(13(17)8-10)20-16-7-3-11-9-12(18)4-6-14(11)19-16/h2-9H,18H2,1H3,(H,19,20)
InChIKeyBFGRLPDKXNTXHE-UHFFFAOYSA-N
MW267.31 g/mol
LogP4.01
Rot. Bonds2

About 2-N-(2-fluoro-4-methylphenyl)quinoline-2,6-diamine

2-N-(2-fluoro-4-methylphenyl)quinoline-2,6-diamine (PubChem CID 43450982) has the molecular formula C16H14FN3 and a molecular weight of 267.31 g/mol. Its IUPAC name is 2-N-(2-fluoro-4-methylphenyl)quinoline-2,6-diamine.

Molecular Properties

Compound Name2-N-(2-fluoro-4-methylphenyl)quinoline-2,6-diamine
PubChem CID43450982
Molecular FormulaC16H14FN3
Molecular Weight267.31 g/mol
Exact Mass267.12
IUPAC Name2-N-(2-fluoro-4-methylphenyl)quinoline-2,6-diamine
SMILESCc1ccc(Nc2ccc3cc(N)ccc3n2)c(F)c1
InChIInChI=1S/C16H14FN3/c1-10-2-5-15(13(17)8-10)20-16-7-3-11-9-12(18)4-6-14(11)19-16/h2-9H,18H2,1H3,(H,19,20)
InChIKeyBFGRLPDKXNTXHE-UHFFFAOYSA-N
XLogP4.01
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-N-(2-fluoro-4-methylphenyl)pyridine-2,6-diamine
CID 80646846
2-N-(2-fluoro-4-methylphenyl)-6-methoxypyridine-2,5-diamine
CID 43261717
2-[(6-aminoquinolin-2-yl)amino]-5-fluorobenzonitrile
CID 82012937
2-[(6-aminoquinolin-2-yl)amino]-6-fluorobenzonitrile
CID 43580481
2-N-(2-fluoro-4-methylphenyl)-1,3-benzoxazole-2,5-diamine
CID 79885549
2-N-(4-bromo-3,5-dimethylphenyl)quinoline-2,6-diamine
CID 107571429
2-N-(2,3-dichlorophenyl)quinoline-2,6-diamine
CID 43450981
N-(2-fluoro-4-methylphenyl)-4-methylpyridin-2-amine
CID 91756465
2-N-(2-bromo-3-chlorophenyl)quinoline-2,6-diamine
CID 103477533
3-N-(2-fluoro-4-methylphenyl)-5-methylbenzene-1,3-diamine
CID 112647070
2-N-[(4-fluorophenyl)methyl]quinoline-2,6-diamine
CID 43450871
N-(2-fluoro-4-methylphenyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567318

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-fluoro-4-methylphenyl)quinoline-2,6-diamine?
The IUPAC name of 2-N-(2-fluoro-4-methylphenyl)quinoline-2,6-diamine (CID 43450982) is 2-N-(2-fluoro-4-methylphenyl)quinoline-2,6-diamine.
What is the SMILES notation for 2-N-(2-fluoro-4-methylphenyl)quinoline-2,6-diamine?
The canonical SMILES for 2-N-(2-fluoro-4-methylphenyl)quinoline-2,6-diamine is Cc1ccc(Nc2ccc3cc(N)ccc3n2)c(F)c1.
What is the InChIKey of 2-N-(2-fluoro-4-methylphenyl)quinoline-2,6-diamine?
The InChIKey is BFGRLPDKXNTXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3/c1-10-2-5-15(13(17)8-10)20-16-7-3-11-9-12(18)4-6-14(11)19-16/h2-9H,18H2,1H3,(H,19,20).
What are the key properties of 2-N-(2-fluoro-4-methylphenyl)quinoline-2,6-diamine?
2-N-(2-fluoro-4-methylphenyl)quinoline-2,6-diamine has a molecular weight of 267.31 g/mol, XLogP of 4.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-fluoro-4-methylphenyl)quinoline-2,6-diamine is sourced from PubChem (CID 43450982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).