2-fluoro-6-[[3-(2-methoxyethoxy)anilino]methyl]phenol

C16H18FNO3 — CID 115951590

IUPAC2-fluoro-6-[[3-(2-methoxyethoxy)anilino]methyl]phenol
SMILESCOCCOc1cccc(NCc2cccc(F)c2O)c1
InChIInChI=1S/C16H18FNO3/c1-20-8-9-21-14-6-3-5-13(10-14)18-11-12-4-2-7-15(17)16(12)19/h2-7,10,18-19H,8-9,11H2,1H3
InChIKeyKBWOARNMNIZFSK-UHFFFAOYSA-N
MW291.32 g/mol
LogP3.17
Rot. Bonds7

About 2-fluoro-6-[[3-(2-methoxyethoxy)anilino]methyl]phenol

2-fluoro-6-[[3-(2-methoxyethoxy)anilino]methyl]phenol (PubChem CID 115951590) has the molecular formula C16H18FNO3 and a molecular weight of 291.32 g/mol. Its IUPAC name is 2-fluoro-6-[[3-(2-methoxyethoxy)anilino]methyl]phenol.

Molecular Properties

Compound Name2-fluoro-6-[[3-(2-methoxyethoxy)anilino]methyl]phenol
PubChem CID115951590
Molecular FormulaC16H18FNO3
Molecular Weight291.32 g/mol
Exact Mass291.13
IUPAC Name2-fluoro-6-[[3-(2-methoxyethoxy)anilino]methyl]phenol
SMILESCOCCOc1cccc(NCc2cccc(F)c2O)c1
InChIInChI=1S/C16H18FNO3/c1-20-8-9-21-14-6-3-5-13(10-14)18-11-12-4-2-7-15(17)16(12)19/h2-7,10,18-19H,8-9,11H2,1H3
InChIKeyKBWOARNMNIZFSK-UHFFFAOYSA-N
XLogP3.17
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(5-chloro-2-fluorophenyl)methyl]-3-(2-methoxyethoxy)aniline
CID 115762008
N-[(2-chloro-6-fluorophenyl)methyl]-3-(2-methoxyethoxy)aniline
CID 60944121
N-[(3-fluoro-4-methylphenyl)methyl]-3-(2-methoxyethoxy)aniline
CID 63646703
3-[(3-ethoxyanilino)methyl]benzene-1,2-diol
CID 61319719
N-[[2-(2-methoxyethoxy)phenyl]methyl]-3-(2-phenylethoxy)aniline
CID 54802511
3-fluoro-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline
CID 39374232
2-fluoro-6-[(3-iodoanilino)methyl]phenol
CID 112606354
3-(2-methoxyethoxy)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 62473686
3-(2-methoxyethoxy)-N-[(4-methylsulfanylphenyl)methyl]aniline
CID 60936529
2-bromo-6-[[4-(2-methoxyethoxy)anilino]methyl]phenol
CID 61391221
N-[(4-bromophenyl)methyl]-3-(2-methoxyethoxy)aniline
CID 60934782
2-[[3-(difluoromethoxy)anilino]methyl]-6-methoxyphenol
CID 43698991

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[[3-(2-methoxyethoxy)anilino]methyl]phenol?
The IUPAC name of 2-fluoro-6-[[3-(2-methoxyethoxy)anilino]methyl]phenol (CID 115951590) is 2-fluoro-6-[[3-(2-methoxyethoxy)anilino]methyl]phenol.
What is the SMILES notation for 2-fluoro-6-[[3-(2-methoxyethoxy)anilino]methyl]phenol?
The canonical SMILES for 2-fluoro-6-[[3-(2-methoxyethoxy)anilino]methyl]phenol is COCCOc1cccc(NCc2cccc(F)c2O)c1.
What is the InChIKey of 2-fluoro-6-[[3-(2-methoxyethoxy)anilino]methyl]phenol?
The InChIKey is KBWOARNMNIZFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3/c1-20-8-9-21-14-6-3-5-13(10-14)18-11-12-4-2-7-15(17)16(12)19/h2-7,10,18-19H,8-9,11H2,1H3.
What are the key properties of 2-fluoro-6-[[3-(2-methoxyethoxy)anilino]methyl]phenol?
2-fluoro-6-[[3-(2-methoxyethoxy)anilino]methyl]phenol has a molecular weight of 291.32 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[[3-(2-methoxyethoxy)anilino]methyl]phenol is sourced from PubChem (CID 115951590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).