2-[(3-fluoro-4-methoxyanilino)methyl]-5-methoxyphenol

C15H16FNO3 — CID 61263249

IUPAC2-[(3-fluoro-4-methoxyanilino)methyl]-5-methoxyphenol
SMILESCOc1ccc(CNc2ccc(OC)c(F)c2)c(O)c1
InChIInChI=1S/C15H16FNO3/c1-19-12-5-3-10(14(18)8-12)9-17-11-4-6-15(20-2)13(16)7-11/h3-8,17-18H,9H2,1-2H3
InChIKeyRXLFVQOEJPZEML-UHFFFAOYSA-N
MW277.30 g/mol
LogP3.16
Rot. Bonds5

About 2-[(3-fluoro-4-methoxyanilino)methyl]-5-methoxyphenol

2-[(3-fluoro-4-methoxyanilino)methyl]-5-methoxyphenol (PubChem CID 61263249) has the molecular formula C15H16FNO3 and a molecular weight of 277.30 g/mol. Its IUPAC name is 2-[(3-fluoro-4-methoxyanilino)methyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[(3-fluoro-4-methoxyanilino)methyl]-5-methoxyphenol
PubChem CID61263249
Molecular FormulaC15H16FNO3
Molecular Weight277.30 g/mol
Exact Mass277.11
IUPAC Name2-[(3-fluoro-4-methoxyanilino)methyl]-5-methoxyphenol
SMILESCOc1ccc(CNc2ccc(OC)c(F)c2)c(O)c1
InChIInChI=1S/C15H16FNO3/c1-19-12-5-3-10(14(18)8-12)9-17-11-4-6-15(20-2)13(16)7-11/h3-8,17-18H,9H2,1-2H3
InChIKeyRXLFVQOEJPZEML-UHFFFAOYSA-N
XLogP3.16
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[(3-chloro-4-methoxyanilino)methyl]-5-methoxyphenol
CID 61268573
2-[(4-fluoroanilino)methyl]-5-methoxyphenol
CID 61270048
2-[(3-bromo-4-methylanilino)methyl]-5-methoxyphenol
CID 63333359
2-[(2,4-dimethoxyanilino)methyl]-5-methoxyphenol
CID 61268572
2-[(1-benzothiophen-5-ylamino)methyl]-5-methoxyphenol
CID 61261763
N-[(2-aminophenyl)methyl]-3-fluoro-4-methoxyaniline
CID 66385653
4-[(2-hydroxy-4-methoxyphenyl)methylamino]benzoic acid
CID 61262129
2-[(3-bromoanilino)methyl]-5-methoxyphenol
CID 61267663
3-[(3-fluoro-4-methoxyanilino)methyl]phenol
CID 43380515
N-[(2,4-dimethoxyphenyl)methyl]-3,4-dimethoxyaniline
CID 39427091
2-chloro-6-[(3-fluoro-4-methoxyanilino)methyl]phenol
CID 112553741
3-fluoro-N-(1H-indol-3-ylmethyl)-4-methoxyaniline
CID 60980784

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-methoxyanilino)methyl]-5-methoxyphenol?
The IUPAC name of 2-[(3-fluoro-4-methoxyanilino)methyl]-5-methoxyphenol (CID 61263249) is 2-[(3-fluoro-4-methoxyanilino)methyl]-5-methoxyphenol.
What is the SMILES notation for 2-[(3-fluoro-4-methoxyanilino)methyl]-5-methoxyphenol?
The canonical SMILES for 2-[(3-fluoro-4-methoxyanilino)methyl]-5-methoxyphenol is COc1ccc(CNc2ccc(OC)c(F)c2)c(O)c1.
What is the InChIKey of 2-[(3-fluoro-4-methoxyanilino)methyl]-5-methoxyphenol?
The InChIKey is RXLFVQOEJPZEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3/c1-19-12-5-3-10(14(18)8-12)9-17-11-4-6-15(20-2)13(16)7-11/h3-8,17-18H,9H2,1-2H3.
What are the key properties of 2-[(3-fluoro-4-methoxyanilino)methyl]-5-methoxyphenol?
2-[(3-fluoro-4-methoxyanilino)methyl]-5-methoxyphenol has a molecular weight of 277.30 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-methoxyanilino)methyl]-5-methoxyphenol is sourced from PubChem (CID 61263249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).