2-fluoro-4-[1-(2-hydroxyphenyl)propylamino]phenol

C15H16FNO2 — CID 64793529

IUPAC2-fluoro-4-[1-(2-hydroxyphenyl)propylamino]phenol
SMILESCCC(Nc1ccc(O)c(F)c1)c1ccccc1O
InChIInChI=1S/C15H16FNO2/c1-2-13(11-5-3-4-6-14(11)18)17-10-7-8-15(19)12(16)9-10/h3-9,13,17-19H,2H2,1H3
InChIKeyZCAIYDQVMBNAOD-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.80
Rot. Bonds4

About 2-fluoro-4-[1-(2-hydroxyphenyl)propylamino]phenol

2-fluoro-4-[1-(2-hydroxyphenyl)propylamino]phenol (PubChem CID 64793529) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-fluoro-4-[1-(2-hydroxyphenyl)propylamino]phenol.

Molecular Properties

Compound Name2-fluoro-4-[1-(2-hydroxyphenyl)propylamino]phenol
PubChem CID64793529
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name2-fluoro-4-[1-(2-hydroxyphenyl)propylamino]phenol
SMILESCCC(Nc1ccc(O)c(F)c1)c1ccccc1O
InChIInChI=1S/C15H16FNO2/c1-2-13(11-5-3-4-6-14(11)18)17-10-7-8-15(19)12(16)9-10/h3-9,13,17-19H,2H2,1H3
InChIKeyZCAIYDQVMBNAOD-UHFFFAOYSA-N
XLogP3.80
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-5-[1-(2-hydroxyphenyl)propylamino]benzoic acid
CID 43727906
4-[1-(2,4-dichlorophenyl)propylamino]-2-fluorophenol
CID 64794999
2-[1-(3,4-dimethylanilino)propyl]phenol
CID 43194157
2-[1-(3,4-dichloroanilino)propyl]phenol
CID 43105604
2-[1-(3,4-dimethoxyanilino)propyl]phenol
CID 43192747
2-[1-(3-chloro-5-fluoroanilino)propyl]phenol
CID 104925443
2-[1-(2-fluoro-5-methylanilino)propyl]phenol
CID 43122748
2-[1-[3-(dimethylamino)anilino]propyl]phenol
CID 115376440
2-[1-[4-(difluoromethylsulfanyl)anilino]propyl]phenol
CID 43673094
2-[1-(3-chloro-4-ethoxyanilino)propyl]phenol
CID 60944149
4-[1-(2-hydroxyphenyl)propylamino]benzoic acid
CID 43321630
2-[1-(4-bromo-2-fluoroanilino)propyl]phenol
CID 43192631

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[1-(2-hydroxyphenyl)propylamino]phenol?
The IUPAC name of 2-fluoro-4-[1-(2-hydroxyphenyl)propylamino]phenol (CID 64793529) is 2-fluoro-4-[1-(2-hydroxyphenyl)propylamino]phenol.
What is the SMILES notation for 2-fluoro-4-[1-(2-hydroxyphenyl)propylamino]phenol?
The canonical SMILES for 2-fluoro-4-[1-(2-hydroxyphenyl)propylamino]phenol is CCC(Nc1ccc(O)c(F)c1)c1ccccc1O.
What is the InChIKey of 2-fluoro-4-[1-(2-hydroxyphenyl)propylamino]phenol?
The InChIKey is ZCAIYDQVMBNAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-2-13(11-5-3-4-6-14(11)18)17-10-7-8-15(19)12(16)9-10/h3-9,13,17-19H,2H2,1H3.
What are the key properties of 2-fluoro-4-[1-(2-hydroxyphenyl)propylamino]phenol?
2-fluoro-4-[1-(2-hydroxyphenyl)propylamino]phenol has a molecular weight of 261.30 g/mol, XLogP of 3.80, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[1-(2-hydroxyphenyl)propylamino]phenol is sourced from PubChem (CID 64793529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).