2-amino-1-[4-(2,4-dimethylphenoxy)phenyl]ethanol

C16H19NO2 — CID 82044821

IUPAC2-amino-1-[4-(2,4-dimethylphenoxy)phenyl]ethanol
SMILESCc1ccc(Oc2ccc(C(O)CN)cc2)c(C)c1
InChIInChI=1S/C16H19NO2/c1-11-3-8-16(12(2)9-11)19-14-6-4-13(5-7-14)15(18)10-17/h3-9,15,18H,10,17H2,1-2H3
InChIKeyFGXVELLOHDVBMZ-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.09
Rot. Bonds4

About 2-amino-1-[4-(2,4-dimethylphenoxy)phenyl]ethanol

2-amino-1-[4-(2,4-dimethylphenoxy)phenyl]ethanol (PubChem CID 82044821) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-amino-1-[4-(2,4-dimethylphenoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-amino-1-[4-(2,4-dimethylphenoxy)phenyl]ethanol
PubChem CID82044821
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name2-amino-1-[4-(2,4-dimethylphenoxy)phenyl]ethanol
SMILESCc1ccc(Oc2ccc(C(O)CN)cc2)c(C)c1
InChIInChI=1S/C16H19NO2/c1-11-3-8-16(12(2)9-11)19-14-6-4-13(5-7-14)15(18)10-17/h3-9,15,18H,10,17H2,1-2H3
InChIKeyFGXVELLOHDVBMZ-UHFFFAOYSA-N
XLogP3.09
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2,4-dimethylphenoxy)phenyl]ethanamine
CID 43189138
2-[4-(2,4-dimethylphenoxy)phenyl]propanoic acid
CID 82305907
2-amino-1-(4-methylphenyl)ethanol;ethane
CID 145260878
carbon monoxide;2,4-dimethyl-1-(4-methylphenoxy)benzene
CID 91264614
(1S)-2-amino-1-(4-phenoxyphenyl)ethanol
CID 39247565
[3-methyl-4-(4-methylphenoxy)phenyl]methanamine
CID 55025691
(1S)-1-[5-(2,4-dimethylphenoxy)-2-pyridinyl]ethanol
CID 83125032
2-amino-1-(2,4-dimethylphenyl)ethanol;hydrochloride
CID 137346924
2-(2,4-dimethylphenoxy)-1-pyridin-4-ylethanol
CID 14500456
1-[4-(4-bromo-2-methylphenoxy)phenyl]ethanol
CID 63217010
1-[3,4-bis(4-methylphenoxy)phenyl]-2-(methylamino)ethanol
CID 70603684
4-[2-[1-[2-(4-aminophenoxy)-5-methylphenyl]ethyl]-4-methylphenoxy]aniline
CID 22237122

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(2,4-dimethylphenoxy)phenyl]ethanol?
The IUPAC name of 2-amino-1-[4-(2,4-dimethylphenoxy)phenyl]ethanol (CID 82044821) is 2-amino-1-[4-(2,4-dimethylphenoxy)phenyl]ethanol.
What is the SMILES notation for 2-amino-1-[4-(2,4-dimethylphenoxy)phenyl]ethanol?
The canonical SMILES for 2-amino-1-[4-(2,4-dimethylphenoxy)phenyl]ethanol is Cc1ccc(Oc2ccc(C(O)CN)cc2)c(C)c1.
What is the InChIKey of 2-amino-1-[4-(2,4-dimethylphenoxy)phenyl]ethanol?
The InChIKey is FGXVELLOHDVBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-11-3-8-16(12(2)9-11)19-14-6-4-13(5-7-14)15(18)10-17/h3-9,15,18H,10,17H2,1-2H3.
What are the key properties of 2-amino-1-[4-(2,4-dimethylphenoxy)phenyl]ethanol?
2-amino-1-[4-(2,4-dimethylphenoxy)phenyl]ethanol has a molecular weight of 257.33 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(2,4-dimethylphenoxy)phenyl]ethanol is sourced from PubChem (CID 82044821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).