2-fluoro-4-[[2-(2-methoxyethyl)anilino]methyl]phenol

C16H18FNO2 — CID 107686073

IUPAC2-fluoro-4-[[2-(2-methoxyethyl)anilino]methyl]phenol
SMILESCOCCc1ccccc1NCc1ccc(O)c(F)c1
InChIInChI=1S/C16H18FNO2/c1-20-9-8-13-4-2-3-5-15(13)18-11-12-6-7-16(19)14(17)10-12/h2-7,10,18-19H,8-9,11H2,1H3
InChIKeyCADJQHYSEXZTOQ-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.33
Rot. Bonds6

About 2-fluoro-4-[[2-(2-methoxyethyl)anilino]methyl]phenol

2-fluoro-4-[[2-(2-methoxyethyl)anilino]methyl]phenol (PubChem CID 107686073) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 2-fluoro-4-[[2-(2-methoxyethyl)anilino]methyl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[[2-(2-methoxyethyl)anilino]methyl]phenol
PubChem CID107686073
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name2-fluoro-4-[[2-(2-methoxyethyl)anilino]methyl]phenol
SMILESCOCCc1ccccc1NCc1ccc(O)c(F)c1
InChIInChI=1S/C16H18FNO2/c1-20-9-8-13-4-2-3-5-15(13)18-11-12-6-7-16(19)14(17)10-12/h2-7,10,18-19H,8-9,11H2,1H3
InChIKeyCADJQHYSEXZTOQ-UHFFFAOYSA-N
XLogP3.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyethyl)-N-[[3-(methoxymethyl)phenyl]methyl]aniline
CID 102847288
N-[(2,3-difluorophenyl)methyl]-2-(2-methoxyethyl)aniline
CID 102847298
4-[[2-(2-methoxyethyl)anilino]methyl]benzonitrile
CID 102847283
N-[(3-fluoro-4-methylphenyl)methyl]-2-propylaniline
CID 63645034
2-bromo-6-[[2-(2-methoxyethyl)anilino]methyl]phenol
CID 102847681
N-[(4-fluoro-3-methylphenyl)methyl]-2-(methoxymethyl)aniline
CID 62121796
4-[[2-(2-methoxyethyl)anilino]methyl]-5-methylfuran-2-carboxylic acid
CID 103268805
4-[(2,5-dimethoxyanilino)methyl]-2-fluorophenol
CID 107685258
2-(2-methoxyethyl)-N-(3,3,3-trifluoropropyl)aniline
CID 102847349
3-[2-(2-methoxyethyl)anilino]-2-methylpropanoic acid
CID 102905114
2-[[2-(2-methoxyethyl)anilino]methyl]benzoic acid
CID 103268818
2-fluoro-4-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]phenol
CID 107685440

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[[2-(2-methoxyethyl)anilino]methyl]phenol?
The IUPAC name of 2-fluoro-4-[[2-(2-methoxyethyl)anilino]methyl]phenol (CID 107686073) is 2-fluoro-4-[[2-(2-methoxyethyl)anilino]methyl]phenol.
What is the SMILES notation for 2-fluoro-4-[[2-(2-methoxyethyl)anilino]methyl]phenol?
The canonical SMILES for 2-fluoro-4-[[2-(2-methoxyethyl)anilino]methyl]phenol is COCCc1ccccc1NCc1ccc(O)c(F)c1.
What is the InChIKey of 2-fluoro-4-[[2-(2-methoxyethyl)anilino]methyl]phenol?
The InChIKey is CADJQHYSEXZTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-20-9-8-13-4-2-3-5-15(13)18-11-12-6-7-16(19)14(17)10-12/h2-7,10,18-19H,8-9,11H2,1H3.
What are the key properties of 2-fluoro-4-[[2-(2-methoxyethyl)anilino]methyl]phenol?
2-fluoro-4-[[2-(2-methoxyethyl)anilino]methyl]phenol has a molecular weight of 275.32 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[[2-(2-methoxyethyl)anilino]methyl]phenol is sourced from PubChem (CID 107686073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).