1-(3-aminophenyl)-2-(2-fluoro-5-methylphenoxy)ethanol

C15H16FNO2 — CID 64855761

IUPAC1-(3-aminophenyl)-2-(2-fluoro-5-methylphenoxy)ethanol
SMILESCc1ccc(F)c(OCC(O)c2cccc(N)c2)c1
InChIInChI=1S/C15H16FNO2/c1-10-5-6-13(16)15(7-10)19-9-14(18)11-3-2-4-12(17)8-11/h2-8,14,18H,9,17H2,1H3
InChIKeyNZENIODZSKMVPC-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.83
Rot. Bonds4

About 1-(3-aminophenyl)-2-(2-fluoro-5-methylphenoxy)ethanol

1-(3-aminophenyl)-2-(2-fluoro-5-methylphenoxy)ethanol (PubChem CID 64855761) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is 1-(3-aminophenyl)-2-(2-fluoro-5-methylphenoxy)ethanol.

Molecular Properties

Compound Name1-(3-aminophenyl)-2-(2-fluoro-5-methylphenoxy)ethanol
PubChem CID64855761
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name1-(3-aminophenyl)-2-(2-fluoro-5-methylphenoxy)ethanol
SMILESCc1ccc(F)c(OCC(O)c2cccc(N)c2)c1
InChIInChI=1S/C15H16FNO2/c1-10-5-6-13(16)15(7-10)19-9-14(18)11-3-2-4-12(17)8-11/h2-8,14,18H,9,17H2,1H3
InChIKeyNZENIODZSKMVPC-UHFFFAOYSA-N
XLogP2.83
TPSA55.48 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 ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluoro-5-methylphenoxy)-1-(4-methylphenyl)ethanol
CID 64854475
1-(2-aminophenoxy)-3-(2-fluoro-5-methylphenoxy)propan-2-ol
CID 64855185
1-(2-fluoro-5-methylphenoxy)butan-2-ol
CID 64854416
1-(3-aminophenyl)-2-(2-chlorophenoxy)ethanol
CID 62264762
1-fluoro-2-(2-fluoropropoxy)-4-methylbenzene
CID 134558934
1-(4-aminophenyl)-2-(2-methoxy-4-methylphenoxy)ethanol
CID 62265588
1-(3-aminophenyl)-2-(4-chloro-3,5-dimethylphenoxy)ethanol
CID 62267931
2-(2,5-difluorophenoxy)-1-(3,4-dimethylphenyl)ethanol
CID 63269758
1-(3-aminophenyl)-2-(4-ethyl-2-methoxyphenoxy)ethanol
CID 107663977
1-(3-aminophenoxy)-3-(2,5-difluorophenoxy)propan-2-ol
CID 63268739
2-(2-fluoro-3-methylphenoxy)-1-(4-methylphenyl)ethanol
CID 103975241
1-(3-aminophenyl)-2-[(2-fluorophenyl)methoxy]ethanol
CID 63932629

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-2-(2-fluoro-5-methylphenoxy)ethanol?
The IUPAC name of 1-(3-aminophenyl)-2-(2-fluoro-5-methylphenoxy)ethanol (CID 64855761) is 1-(3-aminophenyl)-2-(2-fluoro-5-methylphenoxy)ethanol.
What is the SMILES notation for 1-(3-aminophenyl)-2-(2-fluoro-5-methylphenoxy)ethanol?
The canonical SMILES for 1-(3-aminophenyl)-2-(2-fluoro-5-methylphenoxy)ethanol is Cc1ccc(F)c(OCC(O)c2cccc(N)c2)c1.
What is the InChIKey of 1-(3-aminophenyl)-2-(2-fluoro-5-methylphenoxy)ethanol?
The InChIKey is NZENIODZSKMVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-10-5-6-13(16)15(7-10)19-9-14(18)11-3-2-4-12(17)8-11/h2-8,14,18H,9,17H2,1H3.
What are the key properties of 1-(3-aminophenyl)-2-(2-fluoro-5-methylphenoxy)ethanol?
1-(3-aminophenyl)-2-(2-fluoro-5-methylphenoxy)ethanol has a molecular weight of 261.30 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-2-(2-fluoro-5-methylphenoxy)ethanol is sourced from PubChem (CID 64855761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).