5-fluoro-2-methoxy-N-(pyridin-4-ylmethyl)aniline

C13H13FN2O — CID 82539421

IUPAC5-fluoro-2-methoxy-N-(pyridin-4-ylmethyl)aniline
SMILESCOc1ccc(F)cc1NCc1ccncc1
InChIInChI=1S/C13H13FN2O/c1-17-13-3-2-11(14)8-12(13)16-9-10-4-6-15-7-5-10/h2-8,16H,9H2,1H3
InChIKeyQGKKXCGZLJBIQV-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.84
Rot. Bonds4

About 5-fluoro-2-methoxy-N-(pyridin-4-ylmethyl)aniline

5-fluoro-2-methoxy-N-(pyridin-4-ylmethyl)aniline (PubChem CID 82539421) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-N-(pyridin-4-ylmethyl)aniline.

Molecular Properties

Compound Name5-fluoro-2-methoxy-N-(pyridin-4-ylmethyl)aniline
PubChem CID82539421
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name5-fluoro-2-methoxy-N-(pyridin-4-ylmethyl)aniline
SMILESCOc1ccc(F)cc1NCc1ccncc1
InChIInChI=1S/C13H13FN2O/c1-17-13-3-2-11(14)8-12(13)16-9-10-4-6-15-7-5-10/h2-8,16H,9H2,1H3
InChIKeyQGKKXCGZLJBIQV-UHFFFAOYSA-N
XLogP2.84
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-methoxy-N-(1H-pyrazol-5-ylmethyl)aniline
CID 115881304
4-fluoro-2-methyl-N-(pyridin-4-ylmethyl)aniline
CID 792097
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]aniline
CID 82539043
N-ethyl-N'-(5-fluoro-2-methoxyphenyl)ethane-1,2-diamine
CID 115205550
3-[(4-fluorophenyl)methylamino]-4-methoxybenzoic acid
CID 17058964
N-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxyaniline
CID 82539005
4-fluoro-2-methoxy-N-[(4-trimethylsilylphenyl)methyl]aniline
CID 103437705
1-(5-fluoro-2-methoxyanilino)-2-methylpropan-2-ol
CID 115136729
5-tert-butyl-N-[(3-fluorophenyl)methyl]-2-methoxyaniline
CID 43229847
1-N-(5-fluoro-2-methoxyphenyl)propane-1,2-diamine
CID 115196243
3-(difluoromethoxy)-4-methoxy-N-(pyridin-4-ylmethyl)aniline
CID 43731334
7-fluoro-3-[(2-methoxy-5-pyridin-4-ylanilino)methyl]-1H-quinolin-2-one
CID 167956310

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-N-(pyridin-4-ylmethyl)aniline?
The IUPAC name of 5-fluoro-2-methoxy-N-(pyridin-4-ylmethyl)aniline (CID 82539421) is 5-fluoro-2-methoxy-N-(pyridin-4-ylmethyl)aniline.
What is the SMILES notation for 5-fluoro-2-methoxy-N-(pyridin-4-ylmethyl)aniline?
The canonical SMILES for 5-fluoro-2-methoxy-N-(pyridin-4-ylmethyl)aniline is COc1ccc(F)cc1NCc1ccncc1.
What is the InChIKey of 5-fluoro-2-methoxy-N-(pyridin-4-ylmethyl)aniline?
The InChIKey is QGKKXCGZLJBIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c1-17-13-3-2-11(14)8-12(13)16-9-10-4-6-15-7-5-10/h2-8,16H,9H2,1H3.
What are the key properties of 5-fluoro-2-methoxy-N-(pyridin-4-ylmethyl)aniline?
5-fluoro-2-methoxy-N-(pyridin-4-ylmethyl)aniline has a molecular weight of 232.26 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-N-(pyridin-4-ylmethyl)aniline is sourced from PubChem (CID 82539421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).