4-[2-(4-fluoro-2-methoxyanilino)propyl]phenol

C16H18FNO2 — CID 115494278

IUPAC4-[2-(4-fluoro-2-methoxyanilino)propyl]phenol
SMILESCOc1cc(F)ccc1NC(C)Cc1ccc(O)cc1
InChIInChI=1S/C16H18FNO2/c1-11(9-12-3-6-14(19)7-4-12)18-15-8-5-13(17)10-16(15)20-2/h3-8,10-11,18-19H,9H2,1-2H3
InChIKeyLHUFHCSNVRZFSV-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.58
Rot. Bonds5

About 4-[2-(4-fluoro-2-methoxyanilino)propyl]phenol

4-[2-(4-fluoro-2-methoxyanilino)propyl]phenol (PubChem CID 115494278) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 4-[2-(4-fluoro-2-methoxyanilino)propyl]phenol.

Molecular Properties

Compound Name4-[2-(4-fluoro-2-methoxyanilino)propyl]phenol
PubChem CID115494278
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name4-[2-(4-fluoro-2-methoxyanilino)propyl]phenol
SMILESCOc1cc(F)ccc1NC(C)Cc1ccc(O)cc1
InChIInChI=1S/C16H18FNO2/c1-11(9-12-3-6-14(19)7-4-12)18-15-8-5-13(17)10-16(15)20-2/h3-8,10-11,18-19H,9H2,1-2H3
InChIKeyLHUFHCSNVRZFSV-UHFFFAOYSA-N
XLogP3.58
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(5-fluoro-2-methylanilino)propyl]phenol
CID 115493921
4-[2-(4-fluoro-2-nitroanilino)propyl]phenol
CID 115494070
4-[2-(3-methoxy-2,4-dimethylanilino)propyl]phenol
CID 115494162
5-fluoro-2-[1-(4-fluoro-2-methoxyanilino)ethyl]phenol
CID 63069226
3-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]-4-methoxyaniline
CID 115917453
2-(4-fluoro-2-methoxyanilino)propanamide
CID 47165201
4-[1-(2-ethoxy-4-fluoroanilino)ethyl]phenol
CID 43730123
4-[2-(4-hydroxyanilino)propyl]phenol
CID 113322859
4-[2-(2-bromo-4-chloroanilino)propyl]phenol
CID 115494460
2-(4-fluoro-2-methoxyanilino)butanamide
CID 62900802
1-[4-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylpropan-2-amine
CID 82540192
N-[1-(4-fluorophenyl)propan-2-yl]-4-methoxyaniline
CID 115916812

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluoro-2-methoxyanilino)propyl]phenol?
The IUPAC name of 4-[2-(4-fluoro-2-methoxyanilino)propyl]phenol (CID 115494278) is 4-[2-(4-fluoro-2-methoxyanilino)propyl]phenol.
What is the SMILES notation for 4-[2-(4-fluoro-2-methoxyanilino)propyl]phenol?
The canonical SMILES for 4-[2-(4-fluoro-2-methoxyanilino)propyl]phenol is COc1cc(F)ccc1NC(C)Cc1ccc(O)cc1.
What is the InChIKey of 4-[2-(4-fluoro-2-methoxyanilino)propyl]phenol?
The InChIKey is LHUFHCSNVRZFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-11(9-12-3-6-14(19)7-4-12)18-15-8-5-13(17)10-16(15)20-2/h3-8,10-11,18-19H,9H2,1-2H3.
What are the key properties of 4-[2-(4-fluoro-2-methoxyanilino)propyl]phenol?
4-[2-(4-fluoro-2-methoxyanilino)propyl]phenol has a molecular weight of 275.32 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluoro-2-methoxyanilino)propyl]phenol is sourced from PubChem (CID 115494278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).