5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]aniline

C15H16FNO2 — CID 82539043

IUPAC5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]aniline
SMILESCOc1ccccc1CNc1cc(F)ccc1OC
InChIInChI=1S/C15H16FNO2/c1-18-14-6-4-3-5-11(14)10-17-13-9-12(16)7-8-15(13)19-2/h3-9,17H,10H2,1-2H3
InChIKeyRZFOQRKZFXSLTL-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.45
Rot. Bonds5

About 5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]aniline

5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]aniline (PubChem CID 82539043) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]aniline
PubChem CID82539043
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]aniline
SMILESCOc1ccccc1CNc1cc(F)ccc1OC
InChIInChI=1S/C15H16FNO2/c1-18-14-6-4-3-5-11(14)10-17-13-9-12(16)7-8-15(13)19-2/h3-9,17H,10H2,1-2H3
InChIKeyRZFOQRKZFXSLTL-UHFFFAOYSA-N
XLogP3.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxyaniline
CID 82539005
methyl 4-fluoro-2-[(2-methoxyphenyl)methylamino]benzoate
CID 43735149
4-fluoro-2-N-[(5-fluoro-2-methoxyphenyl)methyl]benzene-1,2-diamine
CID 115124144
2-[(4-fluoro-2-methoxyanilino)methyl]phenol
CID 54968351
5-fluoro-2-methoxy-N-(1H-pyrazol-5-ylmethyl)aniline
CID 115881304
2-fluoro-5-methoxy-1-N-[(2-methoxyphenyl)methyl]benzene-1,4-diamine
CID 107258624
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110780208
5-fluoro-2-methoxy-N-(pyridin-4-ylmethyl)aniline
CID 82539421
4-fluoro-2-[(2-methoxyanilino)methyl]benzonitrile
CID 103761075
2-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-5-fluoroaniline
CID 107633175
N-[(2-chloro-5-fluorophenyl)methyl]-2,5-dimethoxyaniline
CID 102615378
4-fluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]aniline
CID 82131275

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]aniline?
The IUPAC name of 5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]aniline (CID 82539043) is 5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]aniline.
What is the SMILES notation for 5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]aniline?
The canonical SMILES for 5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]aniline is COc1ccccc1CNc1cc(F)ccc1OC.
What is the InChIKey of 5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]aniline?
The InChIKey is RZFOQRKZFXSLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-18-14-6-4-3-5-11(14)10-17-13-9-12(16)7-8-15(13)19-2/h3-9,17H,10H2,1-2H3.
What are the key properties of 5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]aniline?
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]aniline has a molecular weight of 261.30 g/mol, XLogP of 3.45, 5 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-[(2-methoxyphenyl)methyl]aniline is sourced from PubChem (CID 82539043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).