(1S)-2-amino-1-(4-phenoxyphenyl)ethanol

C14H15NO2 — CID 39247565

IUPAC(1S)-2-amino-1-(4-phenoxyphenyl)ethanol
SMILESNC[C@@H](O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C14H15NO2/c15-10-14(16)11-6-8-13(9-7-11)17-12-4-2-1-3-5-12/h1-9,14,16H,10,15H2/t14-/m1/s1
InChIKeyUADSXSNKALEKAM-CQSZACIVSA-N
MW229.28 g/mol
LogP2.47
Rot. Bonds4

About (1S)-2-amino-1-(4-phenoxyphenyl)ethanol

(1S)-2-amino-1-(4-phenoxyphenyl)ethanol (PubChem CID 39247565) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is (1S)-2-amino-1-(4-phenoxyphenyl)ethanol.

Molecular Properties

Compound Name(1S)-2-amino-1-(4-phenoxyphenyl)ethanol
PubChem CID39247565
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name(1S)-2-amino-1-(4-phenoxyphenyl)ethanol
SMILESNC[C@@H](O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C14H15NO2/c15-10-14(16)11-6-8-13(9-7-11)17-12-4-2-1-3-5-12/h1-9,14,16H,10,15H2/t14-/m1/s1
InChIKeyUADSXSNKALEKAM-CQSZACIVSA-N
XLogP2.47
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-phenylethanol;ethane
CID 91425169
2-(4-phenoxyphenyl)propan-1-amine
CID 16736129
4-hydroxy-4-(4-phenoxyphenyl)butanoic acid
CID 43209399
4-amino-1-(4-phenoxyphenyl)butane-1,2-diol
CID 171882229
2-(4-fluorophenyl)-1-(4-phenoxyphenyl)ethanol
CID 142628862
1-(4-phenoxyphenyl)-2-pyrrolidin-1-ylethanol
CID 57207345
1-(4-phenoxyphenyl)ethanol;hydrochloride
CID 67663526
2-amino-1-[4-(trifluoromethoxy)phenyl]ethanol
CID 43209057
[2-hydroxy-2-(4-phenoxyphenyl)ethyl] methanesulfonate
CID 23290257
2-amino-1-[4-(2,4-dimethylphenoxy)phenyl]ethanol
CID 82044821
(4R)-4-amino-4-(4-phenoxyphenyl)butanoic acid
CID 28744353
(1R,2S)-1-amino-1-(4-phenoxyphenyl)-3-phenylpropan-2-ol
CID 171263718

Frequently Asked Questions

What is the IUPAC name of (1S)-2-amino-1-(4-phenoxyphenyl)ethanol?
The IUPAC name of (1S)-2-amino-1-(4-phenoxyphenyl)ethanol (CID 39247565) is (1S)-2-amino-1-(4-phenoxyphenyl)ethanol.
What is the SMILES notation for (1S)-2-amino-1-(4-phenoxyphenyl)ethanol?
The canonical SMILES for (1S)-2-amino-1-(4-phenoxyphenyl)ethanol is NC[C@@H](O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of (1S)-2-amino-1-(4-phenoxyphenyl)ethanol?
The InChIKey is UADSXSNKALEKAM-CQSZACIVSA-N. The full InChI is InChI=1S/C14H15NO2/c15-10-14(16)11-6-8-13(9-7-11)17-12-4-2-1-3-5-12/h1-9,14,16H,10,15H2/t14-/m1/s1.
What are the key properties of (1S)-2-amino-1-(4-phenoxyphenyl)ethanol?
(1S)-2-amino-1-(4-phenoxyphenyl)ethanol has a molecular weight of 229.28 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-amino-1-(4-phenoxyphenyl)ethanol is sourced from PubChem (CID 39247565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).