4-N-[2-(2-fluorophenyl)ethyl]quinoline-4,7-diamine

C17H16FN3 — CID 103000150

IUPAC4-N-[2-(2-fluorophenyl)ethyl]quinoline-4,7-diamine
SMILESNc1ccc2c(NCCc3ccccc3F)ccnc2c1
InChIInChI=1S/C17H16FN3/c18-15-4-2-1-3-12(15)7-9-20-16-8-10-21-17-11-13(19)5-6-14(16)17/h1-6,8,10-11H,7,9,19H2,(H,20,21)
InChIKeyOBEOQXJFOJICPS-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.61
Rot. Bonds4

About 4-N-[2-(2-fluorophenyl)ethyl]quinoline-4,7-diamine

4-N-[2-(2-fluorophenyl)ethyl]quinoline-4,7-diamine (PubChem CID 103000150) has the molecular formula C17H16FN3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 4-N-[2-(2-fluorophenyl)ethyl]quinoline-4,7-diamine.

Molecular Properties

Compound Name4-N-[2-(2-fluorophenyl)ethyl]quinoline-4,7-diamine
PubChem CID103000150
Molecular FormulaC17H16FN3
Molecular Weight281.33 g/mol
Exact Mass281.13
IUPAC Name4-N-[2-(2-fluorophenyl)ethyl]quinoline-4,7-diamine
SMILESNc1ccc2c(NCCc3ccccc3F)ccnc2c1
InChIInChI=1S/C17H16FN3/c18-15-4-2-1-3-12(15)7-9-20-16-8-10-21-17-11-13(19)5-6-14(16)17/h1-6,8,10-11H,7,9,19H2,(H,20,21)
InChIKeyOBEOQXJFOJICPS-UHFFFAOYSA-N
XLogP3.61
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.61
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

4-N-[2-(3-fluorophenyl)ethyl]quinoline-4,7-diamine
CID 103000463
2-chloro-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-diamine
CID 28903455
4-N-[2-(3-methylphenyl)ethyl]quinoline-4,7-diamine
CID 103001025
4-N-[2-(1,3-thiazol-4-yl)ethyl]quinoline-4,7-diamine
CID 103001214
4-N-but-3-enylquinoline-4,7-diamine
CID 103001772
5-N-[2-(2-fluorophenyl)ethyl]quinoline-5,8-diamine
CID 43449441
4-N-(3-butoxypropyl)quinoline-4,7-diamine
CID 103001799
5-amino-2-[2-(2-fluorophenyl)ethylamino]benzamide
CID 61307952
4-N-[2-[ethyl(methyl)amino]ethyl]quinoline-4,7-diamine
CID 103001063
1-N-[2-(2-fluorophenyl)ethyl]-3-methylbenzene-1,2-diamine
CID 114041150
N-[2-(2-methylphenyl)ethyl]quinolin-4-amine
CID 79755193
4-N-(2-cyclohexylethyl)quinoline-4,7-diamine
CID 103000540

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(2-fluorophenyl)ethyl]quinoline-4,7-diamine?
The IUPAC name of 4-N-[2-(2-fluorophenyl)ethyl]quinoline-4,7-diamine (CID 103000150) is 4-N-[2-(2-fluorophenyl)ethyl]quinoline-4,7-diamine.
What is the SMILES notation for 4-N-[2-(2-fluorophenyl)ethyl]quinoline-4,7-diamine?
The canonical SMILES for 4-N-[2-(2-fluorophenyl)ethyl]quinoline-4,7-diamine is Nc1ccc2c(NCCc3ccccc3F)ccnc2c1.
What is the InChIKey of 4-N-[2-(2-fluorophenyl)ethyl]quinoline-4,7-diamine?
The InChIKey is OBEOQXJFOJICPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3/c18-15-4-2-1-3-12(15)7-9-20-16-8-10-21-17-11-13(19)5-6-14(16)17/h1-6,8,10-11H,7,9,19H2,(H,20,21).
What are the key properties of 4-N-[2-(2-fluorophenyl)ethyl]quinoline-4,7-diamine?
4-N-[2-(2-fluorophenyl)ethyl]quinoline-4,7-diamine has a molecular weight of 281.33 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(2-fluorophenyl)ethyl]quinoline-4,7-diamine is sourced from PubChem (CID 103000150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).