4-[(2-ethoxy-4-fluoroanilino)methyl]-2-methoxyphenol

C16H18FNO3 — CID 43730019

IUPAC4-[(2-ethoxy-4-fluoroanilino)methyl]-2-methoxyphenol
SMILESCCOc1cc(F)ccc1NCc1ccc(O)c(OC)c1
InChIInChI=1S/C16H18FNO3/c1-3-21-15-9-12(17)5-6-13(15)18-10-11-4-7-14(19)16(8-11)20-2/h4-9,18-19H,3,10H2,1-2H3
InChIKeyZYISMCMNFVRYIQ-UHFFFAOYSA-N
MW291.32 g/mol
LogP3.55
Rot. Bonds6

About 4-[(2-ethoxy-4-fluoroanilino)methyl]-2-methoxyphenol

4-[(2-ethoxy-4-fluoroanilino)methyl]-2-methoxyphenol (PubChem CID 43730019) has the molecular formula C16H18FNO3 and a molecular weight of 291.32 g/mol. Its IUPAC name is 4-[(2-ethoxy-4-fluoroanilino)methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(2-ethoxy-4-fluoroanilino)methyl]-2-methoxyphenol
PubChem CID43730019
Molecular FormulaC16H18FNO3
Molecular Weight291.32 g/mol
Exact Mass291.13
IUPAC Name4-[(2-ethoxy-4-fluoroanilino)methyl]-2-methoxyphenol
SMILESCCOc1cc(F)ccc1NCc1ccc(O)c(OC)c1
InChIInChI=1S/C16H18FNO3/c1-3-21-15-9-12(17)5-6-13(15)18-10-11-4-7-14(19)16(8-11)20-2/h4-9,18-19H,3,10H2,1-2H3
InChIKeyZYISMCMNFVRYIQ-UHFFFAOYSA-N
XLogP3.55
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-4-[(2-ethoxy-4-fluoroanilino)methyl]phenol
CID 63047094
4-[(2-bromo-4-fluoroanilino)methyl]-2-ethoxyphenol
CID 28939104
2-ethoxy-4-[(2-methoxy-4-methylanilino)methyl]phenol
CID 60931979
2-ethoxy-4-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936544
4-[(5-chloro-2-methoxyanilino)methyl]-2-ethoxyphenol
CID 28514732
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methoxyaniline
CID 28612218
5-[(2-bromo-4-fluoroanilino)methyl]-2-methoxyphenol
CID 28939098
2-[(4-hydroxy-3-methoxyphenyl)methylamino]-4-methylphenol
CID 83320633
2-[(4-fluoro-2-methoxyanilino)methyl]phenol
CID 54968351
3-[(2-ethoxy-4-fluoroanilino)methyl]benzonitrile
CID 43730072
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-ethoxy-4-fluoroaniline
CID 43804400
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-fluoro-4-methylaniline
CID 28890884

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethoxy-4-fluoroanilino)methyl]-2-methoxyphenol?
The IUPAC name of 4-[(2-ethoxy-4-fluoroanilino)methyl]-2-methoxyphenol (CID 43730019) is 4-[(2-ethoxy-4-fluoroanilino)methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(2-ethoxy-4-fluoroanilino)methyl]-2-methoxyphenol?
The canonical SMILES for 4-[(2-ethoxy-4-fluoroanilino)methyl]-2-methoxyphenol is CCOc1cc(F)ccc1NCc1ccc(O)c(OC)c1.
What is the InChIKey of 4-[(2-ethoxy-4-fluoroanilino)methyl]-2-methoxyphenol?
The InChIKey is ZYISMCMNFVRYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3/c1-3-21-15-9-12(17)5-6-13(15)18-10-11-4-7-14(19)16(8-11)20-2/h4-9,18-19H,3,10H2,1-2H3.
What are the key properties of 4-[(2-ethoxy-4-fluoroanilino)methyl]-2-methoxyphenol?
4-[(2-ethoxy-4-fluoroanilino)methyl]-2-methoxyphenol has a molecular weight of 291.32 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethoxy-4-fluoroanilino)methyl]-2-methoxyphenol is sourced from PubChem (CID 43730019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).