(2S)-2-(diethylamino)-2-phenylethanol

C12H19NO — CID 13119691

IUPAC(2S)-2-(diethylamino)-2-phenylethanol
SMILESCCN(CC)[C@H](CO)c1ccccc1
InChIInChI=1S/C12H19NO/c1-3-13(4-2)12(10-14)11-8-6-5-7-9-11/h5-9,12,14H,3-4,10H2,1-2H3/t12-/m1/s1
InChIKeyJTFMGXYUGTZOAX-GFCCVEGCSA-N
MW193.29 g/mol
LogP2.06
Rot. Bonds5

About (2S)-2-(diethylamino)-2-phenylethanol

(2S)-2-(diethylamino)-2-phenylethanol (PubChem CID 13119691) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (2S)-2-(diethylamino)-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-(diethylamino)-2-phenylethanol
PubChem CID13119691
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(2S)-2-(diethylamino)-2-phenylethanol
SMILESCCN(CC)[C@H](CO)c1ccccc1
InChIInChI=1S/C12H19NO/c1-3-13(4-2)12(10-14)11-8-6-5-7-9-11/h5-9,12,14H,3-4,10H2,1-2H3/t12-/m1/s1
InChIKeyJTFMGXYUGTZOAX-GFCCVEGCSA-N
XLogP2.06
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2,2'-((Phenylmethyl)imino)bisethanol
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2-((1-Phenylethyl)amino)ethan-1-ol
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Etafedrine
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N-Benzyl-N-methylethanolamine
CID 66876
2-[2-Hydroxyethyl-[(4-methylphenyl)methyl]amino]ethanol
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Etafedrine Hydrochloride
CID 76964725

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(diethylamino)-2-phenylethanol?
The IUPAC name of (2S)-2-(diethylamino)-2-phenylethanol (CID 13119691) is (2S)-2-(diethylamino)-2-phenylethanol.
What is the SMILES notation for (2S)-2-(diethylamino)-2-phenylethanol?
The canonical SMILES for (2S)-2-(diethylamino)-2-phenylethanol is CCN(CC)[C@H](CO)c1ccccc1.
What is the InChIKey of (2S)-2-(diethylamino)-2-phenylethanol?
The InChIKey is JTFMGXYUGTZOAX-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-13(4-2)12(10-14)11-8-6-5-7-9-11/h5-9,12,14H,3-4,10H2,1-2H3/t12-/m1/s1.
What are the key properties of (2S)-2-(diethylamino)-2-phenylethanol?
(2S)-2-(diethylamino)-2-phenylethanol has a molecular weight of 193.29 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(diethylamino)-2-phenylethanol is sourced from PubChem (CID 13119691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).