8-N-[(3-fluorophenyl)methyl]-8-N-methylquinoline-5,8-diamine

C17H16FN3 — CID 43450087

IUPAC8-N-[(3-fluorophenyl)methyl]-8-N-methylquinoline-5,8-diamine
SMILESCN(Cc1cccc(F)c1)c1ccc(N)c2cccnc12
InChIInChI=1S/C17H16FN3/c1-21(11-12-4-2-5-13(18)10-12)16-8-7-15(19)14-6-3-9-20-17(14)16/h2-10H,11,19H2,1H3
InChIKeyXAHXCECAFVZLIL-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.59
Rot. Bonds3

About 8-N-[(3-fluorophenyl)methyl]-8-N-methylquinoline-5,8-diamine

8-N-[(3-fluorophenyl)methyl]-8-N-methylquinoline-5,8-diamine (PubChem CID 43450087) has the molecular formula C17H16FN3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 8-N-[(3-fluorophenyl)methyl]-8-N-methylquinoline-5,8-diamine.

Molecular Properties

Compound Name8-N-[(3-fluorophenyl)methyl]-8-N-methylquinoline-5,8-diamine
PubChem CID43450087
Molecular FormulaC17H16FN3
Molecular Weight281.33 g/mol
Exact Mass281.13
IUPAC Name8-N-[(3-fluorophenyl)methyl]-8-N-methylquinoline-5,8-diamine
SMILESCN(Cc1cccc(F)c1)c1ccc(N)c2cccnc12
InChIInChI=1S/C17H16FN3/c1-21(11-12-4-2-5-13(18)10-12)16-8-7-15(19)14-6-3-9-20-17(14)16/h2-10H,11,19H2,1H3
InChIKeyXAHXCECAFVZLIL-UHFFFAOYSA-N
XLogP3.59
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-N-[(3-fluorophenyl)methyl]-5-N-methylquinoline-5,8-diamine
CID 43449405
8-N-[(3-chlorophenyl)methyl]-8-N-methylquinoline-5,8-diamine
CID 61413478
8-N-methyl-8-N-[(4-methylphenyl)methyl]quinoline-5,8-diamine
CID 43450085
8-N-methyl-8-N-(pyridin-2-ylmethyl)quinoline-5,8-diamine
CID 43564940
8-N-[(3-fluorophenyl)methyl]quinoline-5,8-diamine
CID 43450144
5-N-methyl-5-N-(pyridin-3-ylmethyl)quinoline-5,8-diamine
CID 43563386
8-N-methyl-8-N-(2-methylsulfanylethyl)quinoline-5,8-diamine
CID 112656769
5-[(5-aminoquinolin-8-yl)-methylamino]pentan-1-ol
CID 107197791
4-amino-3-[(3-fluorophenyl)methyl-methylamino]benzenesulfonamide
CID 82900035
2-(aminomethyl)-4-fluoro-N-[(3-fluorophenyl)methyl]-N-methylaniline
CID 43313878
8-[[benzyl(methyl)amino]methyl]quinolin-5-amine
CID 43375712
8-N-methyl-8-N-(2-propan-2-yloxyethyl)quinoline-5,8-diamine
CID 81059066

Frequently Asked Questions

What is the IUPAC name of 8-N-[(3-fluorophenyl)methyl]-8-N-methylquinoline-5,8-diamine?
The IUPAC name of 8-N-[(3-fluorophenyl)methyl]-8-N-methylquinoline-5,8-diamine (CID 43450087) is 8-N-[(3-fluorophenyl)methyl]-8-N-methylquinoline-5,8-diamine.
What is the SMILES notation for 8-N-[(3-fluorophenyl)methyl]-8-N-methylquinoline-5,8-diamine?
The canonical SMILES for 8-N-[(3-fluorophenyl)methyl]-8-N-methylquinoline-5,8-diamine is CN(Cc1cccc(F)c1)c1ccc(N)c2cccnc12.
What is the InChIKey of 8-N-[(3-fluorophenyl)methyl]-8-N-methylquinoline-5,8-diamine?
The InChIKey is XAHXCECAFVZLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3/c1-21(11-12-4-2-5-13(18)10-12)16-8-7-15(19)14-6-3-9-20-17(14)16/h2-10H,11,19H2,1H3.
What are the key properties of 8-N-[(3-fluorophenyl)methyl]-8-N-methylquinoline-5,8-diamine?
8-N-[(3-fluorophenyl)methyl]-8-N-methylquinoline-5,8-diamine has a molecular weight of 281.33 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-[(3-fluorophenyl)methyl]-8-N-methylquinoline-5,8-diamine is sourced from PubChem (CID 43450087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).