3-[4-amino-2-(4-fluorophenyl)hexoxy]phenol

C18H22FNO2 — CID 90835218

IUPAC3-[4-amino-2-(4-fluorophenyl)hexoxy]phenol
SMILESCCC(N)CC(COc1cccc(O)c1)c1ccc(F)cc1
InChIInChI=1S/C18H22FNO2/c1-2-16(20)10-14(13-6-8-15(19)9-7-13)12-22-18-5-3-4-17(21)11-18/h3-9,11,14,16,21H,2,10,12,20H2,1H3
InChIKeyAFOSBYDVSKFINV-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.82
Rot. Bonds7

About 3-[4-amino-2-(4-fluorophenyl)hexoxy]phenol

3-[4-amino-2-(4-fluorophenyl)hexoxy]phenol (PubChem CID 90835218) has the molecular formula C18H22FNO2 and a molecular weight of 303.38 g/mol. Its IUPAC name is 3-[4-amino-2-(4-fluorophenyl)hexoxy]phenol.

Molecular Properties

Compound Name3-[4-amino-2-(4-fluorophenyl)hexoxy]phenol
PubChem CID90835218
Molecular FormulaC18H22FNO2
Molecular Weight303.38 g/mol
Exact Mass303.16
IUPAC Name3-[4-amino-2-(4-fluorophenyl)hexoxy]phenol
SMILESCCC(N)CC(COc1cccc(O)c1)c1ccc(F)cc1
InChIInChI=1S/C18H22FNO2/c1-2-16(20)10-14(13-6-8-15(19)9-7-13)12-22-18-5-3-4-17(21)11-18/h3-9,11,14,16,21H,2,10,12,20H2,1H3
InChIKeyAFOSBYDVSKFINV-UHFFFAOYSA-N
XLogP3.82
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[4-amino-2-(4-fluorophenyl)hexoxy]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-fluorophenyl)-3-(3-methoxyphenoxy)propan-1-ol
CID 117244926
3-[2-amino-2-(4-methylphenyl)ethoxy]phenol
CID 117244597
3-(2-fluoropropoxy)phenol
CID 84653742
3-(3-butan-2-yloxy-2-hydroxypropoxy)phenol
CID 141158658
3-(3-amino-2-pyridin-3-ylpropoxy)phenol
CID 117241277
3-(2-hydroxypropoxy)phenol;2-methylpropane
CID 144531306
1-(3-propan-2-ylphenoxy)butan-2-amine
CID 62039542
3-(2-amino-3-thiophen-2-ylpropoxy)phenol
CID 117246145
4-(3-ethoxyphenoxy)-2-(4-fluorophenyl)butan-1-amine
CID 82138103
3-[3-(2-ethylbutoxy)-2-hydroxypropoxy]phenol
CID 154641760
1-[3-(trifluoromethyl)phenoxy]butan-2-amine
CID 11009853
6-(3-fluorophenoxy)hexan-3-amine
CID 106800736

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-2-(4-fluorophenyl)hexoxy]phenol?
The IUPAC name of 3-[4-amino-2-(4-fluorophenyl)hexoxy]phenol (CID 90835218) is 3-[4-amino-2-(4-fluorophenyl)hexoxy]phenol.
What is the SMILES notation for 3-[4-amino-2-(4-fluorophenyl)hexoxy]phenol?
The canonical SMILES for 3-[4-amino-2-(4-fluorophenyl)hexoxy]phenol is CCC(N)CC(COc1cccc(O)c1)c1ccc(F)cc1.
What is the InChIKey of 3-[4-amino-2-(4-fluorophenyl)hexoxy]phenol?
The InChIKey is AFOSBYDVSKFINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO2/c1-2-16(20)10-14(13-6-8-15(19)9-7-13)12-22-18-5-3-4-17(21)11-18/h3-9,11,14,16,21H,2,10,12,20H2,1H3.
What are the key properties of 3-[4-amino-2-(4-fluorophenyl)hexoxy]phenol?
3-[4-amino-2-(4-fluorophenyl)hexoxy]phenol has a molecular weight of 303.38 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-2-(4-fluorophenyl)hexoxy]phenol is sourced from PubChem (CID 90835218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).