3-fluoro-4-(quinolin-5-yloxymethyl)aniline

C16H13FN2O — CID 103044079

IUPAC3-fluoro-4-(quinolin-5-yloxymethyl)aniline
SMILESNc1ccc(COc2cccc3ncccc23)c(F)c1
InChIInChI=1S/C16H13FN2O/c17-14-9-12(18)7-6-11(14)10-20-16-5-1-4-15-13(16)3-2-8-19-15/h1-9H,10,18H2
InChIKeyCHACPMFHXPNEDV-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.54
Rot. Bonds3

About 3-fluoro-4-(quinolin-5-yloxymethyl)aniline

3-fluoro-4-(quinolin-5-yloxymethyl)aniline (PubChem CID 103044079) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is 3-fluoro-4-(quinolin-5-yloxymethyl)aniline.

Molecular Properties

Compound Name3-fluoro-4-(quinolin-5-yloxymethyl)aniline
PubChem CID103044079
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name3-fluoro-4-(quinolin-5-yloxymethyl)aniline
SMILESNc1ccc(COc2cccc3ncccc23)c(F)c1
InChIInChI=1S/C16H13FN2O/c17-14-9-12(18)7-6-11(14)10-20-16-5-1-4-15-13(16)3-2-8-19-15/h1-9H,10,18H2
InChIKeyCHACPMFHXPNEDV-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-5-yloxymethyl)phenyl]methanamine
CID 103044344
5-chloro-2-(quinolin-5-yloxymethyl)aniline
CID 103044256
3-fluoro-4-(quinolin-4-ylmethoxy)aniline
CID 79235627
5-[(2-bromo-3-fluorophenyl)methoxy]quinoline
CID 103045464
4-(2-quinolin-5-yloxyethoxy)aniline
CID 103044211
4-[(2-tert-butylphenoxy)methyl]-3-fluoroaniline
CID 64769075
5-[(4,6-dichloro-3-pyridinyl)methoxy]quinoline
CID 103044604
3-[(4-bromo-2-fluorophenyl)methoxy]pyridin-2-amine
CID 43438660
3-fluoro-4-(naphthalen-1-ylmethoxy)aniline
CID 26190143
3-fluoro-4-(pyridin-2-ylmethyl)aniline
CID 54086416
2-quinolin-5-yloxyacetaldehyde
CID 103045247
4-[(4-bromo-2-fluorophenyl)methoxy]-3-fluoroaniline
CID 43381966

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(quinolin-5-yloxymethyl)aniline?
The IUPAC name of 3-fluoro-4-(quinolin-5-yloxymethyl)aniline (CID 103044079) is 3-fluoro-4-(quinolin-5-yloxymethyl)aniline.
What is the SMILES notation for 3-fluoro-4-(quinolin-5-yloxymethyl)aniline?
The canonical SMILES for 3-fluoro-4-(quinolin-5-yloxymethyl)aniline is Nc1ccc(COc2cccc3ncccc23)c(F)c1.
What is the InChIKey of 3-fluoro-4-(quinolin-5-yloxymethyl)aniline?
The InChIKey is CHACPMFHXPNEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c17-14-9-12(18)7-6-11(14)10-20-16-5-1-4-15-13(16)3-2-8-19-15/h1-9H,10,18H2.
What are the key properties of 3-fluoro-4-(quinolin-5-yloxymethyl)aniline?
3-fluoro-4-(quinolin-5-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 3-fluoro-4-(quinolin-5-yloxymethyl)aniline is sourced from PubChem (CID 103044079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).