5-fluoro-2-(quinolin-7-yloxymethyl)aniline

C16H13FN2O — CID 107313267

IUPAC5-fluoro-2-(quinolin-7-yloxymethyl)aniline
SMILESNc1cc(F)ccc1COc1ccc2cccnc2c1
InChIInChI=1S/C16H13FN2O/c17-13-5-3-12(15(18)8-13)10-20-14-6-4-11-2-1-7-19-16(11)9-14/h1-9H,10,18H2
InChIKeyORQFPVRPDLDBHP-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.54
Rot. Bonds3

About 5-fluoro-2-(quinolin-7-yloxymethyl)aniline

5-fluoro-2-(quinolin-7-yloxymethyl)aniline (PubChem CID 107313267) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is 5-fluoro-2-(quinolin-7-yloxymethyl)aniline.

Molecular Properties

Compound Name5-fluoro-2-(quinolin-7-yloxymethyl)aniline
PubChem CID107313267
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name5-fluoro-2-(quinolin-7-yloxymethyl)aniline
SMILESNc1cc(F)ccc1COc1ccc2cccnc2c1
InChIInChI=1S/C16H13FN2O/c17-13-5-3-12(15(18)8-13)10-20-14-6-4-11-2-1-7-19-16(11)9-14/h1-9H,10,18H2
InChIKeyORQFPVRPDLDBHP-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

7-[(2-chlorophenyl)methoxy]quinoline
CID 91807412
3-(quinolin-7-yloxymethyl)pyridine-2-carbothioamide
CID 107313737
[3-methyl-4-(quinolin-7-yloxymethyl)phenyl]methanamine
CID 107313344
7-[(3-fluorophenoxy)methyl]quinoline
CID 174578180
2-[(3-ethoxyphenoxy)methyl]-5-fluoroaniline
CID 64768838
5-fluoro-2-quinolin-7-ylaniline
CID 107626733
5-fluoro-2-[(3-methoxyphenoxy)methyl]aniline
CID 64769606
N-methyl-1-[2-(quinolin-7-yloxymethyl)phenyl]methanamine
CID 107314976
2-[(4-bromo-3-methylphenoxy)methyl]-5-fluoroaniline
CID 83133849
[2-methyl-5-(quinolin-7-yloxymethyl)furan-3-yl]methanamine
CID 107315020
6-[(4-fluorophenyl)methoxy]quinoline
CID 60595158
[2-(quinolin-7-yloxymethyl)furan-3-yl]methanamine
CID 107314996

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(quinolin-7-yloxymethyl)aniline?
The IUPAC name of 5-fluoro-2-(quinolin-7-yloxymethyl)aniline (CID 107313267) is 5-fluoro-2-(quinolin-7-yloxymethyl)aniline.
What is the SMILES notation for 5-fluoro-2-(quinolin-7-yloxymethyl)aniline?
The canonical SMILES for 5-fluoro-2-(quinolin-7-yloxymethyl)aniline is Nc1cc(F)ccc1COc1ccc2cccnc2c1.
What is the InChIKey of 5-fluoro-2-(quinolin-7-yloxymethyl)aniline?
The InChIKey is ORQFPVRPDLDBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c17-13-5-3-12(15(18)8-13)10-20-14-6-4-11-2-1-7-19-16(11)9-14/h1-9H,10,18H2.
What are the key properties of 5-fluoro-2-(quinolin-7-yloxymethyl)aniline?
5-fluoro-2-(quinolin-7-yloxymethyl)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-7-yloxymethyl)aniline is sourced from PubChem (CID 107313267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).