1-(2-aminophenoxy)-3-(2-fluoro-5-methylphenoxy)propan-2-ol

C16H18FNO3 — CID 64855185

IUPAC1-(2-aminophenoxy)-3-(2-fluoro-5-methylphenoxy)propan-2-ol
SMILESCc1ccc(F)c(OCC(O)COc2ccccc2N)c1
InChIInChI=1S/C16H18FNO3/c1-11-6-7-13(17)16(8-11)21-10-12(19)9-20-15-5-3-2-4-14(15)18/h2-8,12,19H,9-10,18H2,1H3
InChIKeyALQGNHYRZKOAFD-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.54
Rot. Bonds6

About 1-(2-aminophenoxy)-3-(2-fluoro-5-methylphenoxy)propan-2-ol

1-(2-aminophenoxy)-3-(2-fluoro-5-methylphenoxy)propan-2-ol (PubChem CID 64855185) has the molecular formula C16H18FNO3 and a molecular weight of 291.32 g/mol. Its IUPAC name is 1-(2-aminophenoxy)-3-(2-fluoro-5-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-aminophenoxy)-3-(2-fluoro-5-methylphenoxy)propan-2-ol
PubChem CID64855185
Molecular FormulaC16H18FNO3
Molecular Weight291.32 g/mol
Exact Mass291.13
IUPAC Name1-(2-aminophenoxy)-3-(2-fluoro-5-methylphenoxy)propan-2-ol
SMILESCc1ccc(F)c(OCC(O)COc2ccccc2N)c1
InChIInChI=1S/C16H18FNO3/c1-11-6-7-13(17)16(8-11)21-10-12(19)9-20-15-5-3-2-4-14(15)18/h2-8,12,19H,9-10,18H2,1H3
InChIKeyALQGNHYRZKOAFD-UHFFFAOYSA-N
XLogP2.54
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-aminophenoxy)-3-(2-fluorophenoxy)propan-2-ol
CID 62269719
1-(2-fluoro-5-methylphenoxy)butan-2-ol
CID 64854416
1-(3-aminophenyl)-2-(2-fluoro-5-methylphenoxy)ethanol
CID 64855761
1-(2-aminophenoxy)-3-(4-chlorophenoxy)propan-2-ol
CID 62267239
1-(2-aminophenoxy)-3-(3-fluorophenoxy)propan-2-ol
CID 62268649
1-(2-fluoro-5-methylanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 60900206
2-(2-fluoro-5-methylphenoxy)-1-(4-methylphenyl)ethanol
CID 64854475
1-(2-aminophenoxy)-3-(2-iodophenoxy)propan-2-ol
CID 62268837
1-fluoro-2-(2-fluoropropoxy)-4-methylbenzene
CID 134558934
2-(2-fluoro-5-methylphenoxy)-1-(2-methylphenyl)ethanamine
CID 64853630
1-(2-aminophenoxy)-3-(4-bromo-2-chlorophenoxy)propan-2-ol
CID 62269183
1-(2-aminophenoxy)-3-(3-methylbutoxy)propan-2-ol
CID 62269721

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenoxy)-3-(2-fluoro-5-methylphenoxy)propan-2-ol?
The IUPAC name of 1-(2-aminophenoxy)-3-(2-fluoro-5-methylphenoxy)propan-2-ol (CID 64855185) is 1-(2-aminophenoxy)-3-(2-fluoro-5-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(2-aminophenoxy)-3-(2-fluoro-5-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-(2-aminophenoxy)-3-(2-fluoro-5-methylphenoxy)propan-2-ol is Cc1ccc(F)c(OCC(O)COc2ccccc2N)c1.
What is the InChIKey of 1-(2-aminophenoxy)-3-(2-fluoro-5-methylphenoxy)propan-2-ol?
The InChIKey is ALQGNHYRZKOAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3/c1-11-6-7-13(17)16(8-11)21-10-12(19)9-20-15-5-3-2-4-14(15)18/h2-8,12,19H,9-10,18H2,1H3.
What are the key properties of 1-(2-aminophenoxy)-3-(2-fluoro-5-methylphenoxy)propan-2-ol?
1-(2-aminophenoxy)-3-(2-fluoro-5-methylphenoxy)propan-2-ol has a molecular weight of 291.32 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenoxy)-3-(2-fluoro-5-methylphenoxy)propan-2-ol is sourced from PubChem (CID 64855185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).