5-fluoro-2-(quinolin-8-ylmethoxy)aniline

C16H13FN2O — CID 62369996

IUPAC5-fluoro-2-(quinolin-8-ylmethoxy)aniline
SMILESNc1cc(F)ccc1OCc1cccc2cccnc12
InChIInChI=1S/C16H13FN2O/c17-13-6-7-15(14(18)9-13)20-10-12-4-1-3-11-5-2-8-19-16(11)12/h1-9H,10,18H2
InChIKeyPIWZIJKEGQCFOT-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.54
Rot. Bonds3

About 5-fluoro-2-(quinolin-8-ylmethoxy)aniline

5-fluoro-2-(quinolin-8-ylmethoxy)aniline (PubChem CID 62369996) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is 5-fluoro-2-(quinolin-8-ylmethoxy)aniline.

Molecular Properties

Compound Name5-fluoro-2-(quinolin-8-ylmethoxy)aniline
PubChem CID62369996
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name5-fluoro-2-(quinolin-8-ylmethoxy)aniline
SMILESNc1cc(F)ccc1OCc1cccc2cccnc12
InChIInChI=1S/C16H13FN2O/c17-13-6-7-15(14(18)9-13)20-10-12-4-1-3-11-5-2-8-19-16(11)12/h1-9H,10,18H2
InChIKeyPIWZIJKEGQCFOT-UHFFFAOYSA-N
XLogP3.54
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.54
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-fluoro-2-(quinolin-8-ylmethoxy)phenyl]methanamine
CID 107695009
4-methyl-2-(quinolin-8-ylmethoxy)aniline
CID 28773261
8-[[4-(bromomethyl)-2-fluorophenoxy]methyl]quinoline
CID 107691850
8-[(2-chlorophenoxy)methyl]quinoline
CID 60705460
8-[[2-(chloromethyl)-4-methylphenoxy]methyl]quinoline
CID 63325423
2-[(2,4-difluorophenyl)methoxy]-5-fluoroaniline
CID 62368347
[2-chloro-6-(quinolin-8-ylmethoxy)phenyl]methanamine
CID 114318357
[2-(quinolin-8-yloxymethyl)phenyl]methanamine
CID 28824796
8-[(5-fluoro-2-methylphenyl)methoxy]quinolin-5-amine
CID 105369730
8-[[4-(bromomethyl)-2-chlorophenoxy]methyl]quinoline
CID 63536066
6-(quinolin-8-ylmethoxy)pyrimidine-2,4,5-triamine
CID 145039451
8-[(5-bromo-2-methylphenoxy)methyl]quinoline
CID 107283970

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(quinolin-8-ylmethoxy)aniline?
The IUPAC name of 5-fluoro-2-(quinolin-8-ylmethoxy)aniline (CID 62369996) is 5-fluoro-2-(quinolin-8-ylmethoxy)aniline.
What is the SMILES notation for 5-fluoro-2-(quinolin-8-ylmethoxy)aniline?
The canonical SMILES for 5-fluoro-2-(quinolin-8-ylmethoxy)aniline is Nc1cc(F)ccc1OCc1cccc2cccnc12.
What is the InChIKey of 5-fluoro-2-(quinolin-8-ylmethoxy)aniline?
The InChIKey is PIWZIJKEGQCFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c17-13-6-7-15(14(18)9-13)20-10-12-4-1-3-11-5-2-8-19-16(11)12/h1-9H,10,18H2.
What are the key properties of 5-fluoro-2-(quinolin-8-ylmethoxy)aniline?
5-fluoro-2-(quinolin-8-ylmethoxy)aniline has a molecular weight of 268.29 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(quinolin-8-ylmethoxy)aniline is sourced from PubChem (CID 62369996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).