3-fluoro-2-[(2-methylquinolin-4-yl)methoxy]aniline

C17H15FN2O — CID 104831438

IUPAC3-fluoro-2-[(2-methylquinolin-4-yl)methoxy]aniline
SMILESCc1cc(COc2c(N)cccc2F)c2ccccc2n1
InChIInChI=1S/C17H15FN2O/c1-11-9-12(13-5-2-3-8-16(13)20-11)10-21-17-14(18)6-4-7-15(17)19/h2-9H,10,19H2,1H3
InChIKeyATUBRMRVUPUPOF-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.84
Rot. Bonds3

About 3-fluoro-2-[(2-methylquinolin-4-yl)methoxy]aniline

3-fluoro-2-[(2-methylquinolin-4-yl)methoxy]aniline (PubChem CID 104831438) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 3-fluoro-2-[(2-methylquinolin-4-yl)methoxy]aniline.

Molecular Properties

Compound Name3-fluoro-2-[(2-methylquinolin-4-yl)methoxy]aniline
PubChem CID104831438
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name3-fluoro-2-[(2-methylquinolin-4-yl)methoxy]aniline
SMILESCc1cc(COc2c(N)cccc2F)c2ccccc2n1
InChIInChI=1S/C17H15FN2O/c1-11-9-12(13-5-2-3-8-16(13)20-11)10-21-17-14(18)6-4-7-15(17)19/h2-9H,10,19H2,1H3
InChIKeyATUBRMRVUPUPOF-UHFFFAOYSA-N
XLogP3.84
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.84
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

3-fluoro-2-[(2-fluorophenyl)methoxy]aniline
CID 113458208
[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methanamine
CID 22148915
[2-[(2-methylquinolin-4-yl)methoxy]phenyl]methanamine
CID 79234339
2-[(2,5-difluorophenyl)methoxy]-3-fluoroaniline
CID 104831279
3-[(2,6-difluorophenoxy)methyl]quinolin-2-amine
CID 81265271
4-[[2-(chloromethyl)phenoxy]methyl]-2-methylquinoline
CID 79231433
4-[(2,4-dimethylphenoxy)methyl]-2-methylquinoline
CID 79232555
2-methylquinolin-4-amine
CID 162035180
3-[(2-methylquinolin-4-yl)methoxy]benzaldehyde
CID 78994185
(2-methylquinolin-4-yl)methanamine;dihydrochloride
CID 42946478
2-[(2-methylquinolin-4-yl)methoxy]benzonitrile
CID 78961975
4-[(2-methylquinolin-4-yl)methoxy]benzoic acid
CID 22032775

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[(2-methylquinolin-4-yl)methoxy]aniline?
The IUPAC name of 3-fluoro-2-[(2-methylquinolin-4-yl)methoxy]aniline (CID 104831438) is 3-fluoro-2-[(2-methylquinolin-4-yl)methoxy]aniline.
What is the SMILES notation for 3-fluoro-2-[(2-methylquinolin-4-yl)methoxy]aniline?
The canonical SMILES for 3-fluoro-2-[(2-methylquinolin-4-yl)methoxy]aniline is Cc1cc(COc2c(N)cccc2F)c2ccccc2n1.
What is the InChIKey of 3-fluoro-2-[(2-methylquinolin-4-yl)methoxy]aniline?
The InChIKey is ATUBRMRVUPUPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-11-9-12(13-5-2-3-8-16(13)20-11)10-21-17-14(18)6-4-7-15(17)19/h2-9H,10,19H2,1H3.
What are the key properties of 3-fluoro-2-[(2-methylquinolin-4-yl)methoxy]aniline?
3-fluoro-2-[(2-methylquinolin-4-yl)methoxy]aniline has a molecular weight of 282.32 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[(2-methylquinolin-4-yl)methoxy]aniline is sourced from PubChem (CID 104831438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).