4-[1-(4-fluoroanilino)ethyl]-2-methoxyphenol

C15H16FNO2 — CID 43194672

IUPAC4-[1-(4-fluoroanilino)ethyl]-2-methoxyphenol
SMILESCOc1cc(C(C)Nc2ccc(F)cc2)ccc1O
InChIInChI=1S/C15H16FNO2/c1-10(17-13-6-4-12(16)5-7-13)11-3-8-14(18)15(9-11)19-2/h3-10,17-18H,1-2H3
InChIKeyXZEZQNKTKACILR-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.71
Rot. Bonds4

About 4-[1-(4-fluoroanilino)ethyl]-2-methoxyphenol

4-[1-(4-fluoroanilino)ethyl]-2-methoxyphenol (PubChem CID 43194672) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is 4-[1-(4-fluoroanilino)ethyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[1-(4-fluoroanilino)ethyl]-2-methoxyphenol
PubChem CID43194672
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name4-[1-(4-fluoroanilino)ethyl]-2-methoxyphenol
SMILESCOc1cc(C(C)Nc2ccc(F)cc2)ccc1O
InChIInChI=1S/C15H16FNO2/c1-10(17-13-6-4-12(16)5-7-13)11-3-8-14(18)15(9-11)19-2/h3-10,17-18H,1-2H3
InChIKeyXZEZQNKTKACILR-UHFFFAOYSA-N
XLogP3.71
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluoroanilino)-2-(4-hydroxy-3-methoxyphenyl)acetonitrile
CID 60986867
4-[1-(3,5-dimethylanilino)ethyl]-2-methoxyphenol
CID 43195420
4-[1-(4-fluoro-2-iodoanilino)ethyl]-2-methoxyphenol
CID 79768643
2,6-dichloro-4-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]phenol
CID 107679206
4-[1-(4-bromo-3,5-dimethylanilino)ethyl]-2-methoxyphenol
CID 107572080
4-[1-(2-chloro-4,6-difluoroanilino)ethyl]-2-methoxyphenol
CID 83073198
4-[1-(1,3-benzothiazol-6-ylamino)ethyl]-2-methoxyphenol
CID 107803903
N-[1-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxyaniline
CID 46021712
4-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,5-dimethylphenol
CID 106953620
2-methoxy-4-[1-(2-methoxy-5-methylanilino)ethyl]phenol
CID 43193429
4-[1-[(2-bromo-5-fluorophenyl)methylamino]ethyl]-2-methoxyphenol
CID 61016537
4-[1-(5-bromo-4-fluoro-2-methylanilino)ethyl]-2-methoxyphenol
CID 107591502

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluoroanilino)ethyl]-2-methoxyphenol?
The IUPAC name of 4-[1-(4-fluoroanilino)ethyl]-2-methoxyphenol (CID 43194672) is 4-[1-(4-fluoroanilino)ethyl]-2-methoxyphenol.
What is the SMILES notation for 4-[1-(4-fluoroanilino)ethyl]-2-methoxyphenol?
The canonical SMILES for 4-[1-(4-fluoroanilino)ethyl]-2-methoxyphenol is COc1cc(C(C)Nc2ccc(F)cc2)ccc1O.
What is the InChIKey of 4-[1-(4-fluoroanilino)ethyl]-2-methoxyphenol?
The InChIKey is XZEZQNKTKACILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-10(17-13-6-4-12(16)5-7-13)11-3-8-14(18)15(9-11)19-2/h3-10,17-18H,1-2H3.
What are the key properties of 4-[1-(4-fluoroanilino)ethyl]-2-methoxyphenol?
4-[1-(4-fluoroanilino)ethyl]-2-methoxyphenol has a molecular weight of 261.30 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluoroanilino)ethyl]-2-methoxyphenol is sourced from PubChem (CID 43194672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).