Etafedrine

C12H19NO — CID 94532

IUPAC(1R,2S)-2-[ethyl(methyl)amino]-1-phenylpropan-1-ol
SMILESCCN(C)[C@@H](C)[C@@H](C1=CC=CC=C1)O
InChIInChI=1S/C12H19NO/c1-4-13(3)10(2)12(14)11-8-6-5-7-9-11/h5-10,12,14H,4H2,1-3H3/t10-,12-/m0/s1
InChIKeyIRVLBORJKFZWMI-JQWIXIFHSA-N
MW193.28 g/mol
LogP2.10
Rot. Bonds4

About Etafedrine

Etafedrine (PubChem CID 94532) has the molecular formula C12H19NO and a molecular weight of 193.28 g/mol. Its IUPAC name is (1R,2S)-2-[ethyl(methyl)amino]-1-phenylpropan-1-ol.

Molecular Properties

Compound NameEtafedrine
PubChem CID94532
Molecular FormulaC12H19NO
Molecular Weight193.28 g/mol
Exact Mass193.15
IUPAC Name(1R,2S)-2-[ethyl(methyl)amino]-1-phenylpropan-1-ol
SMILESCCN(C)[C@@H](C)[C@@H](C1=CC=CC=C1)O
InChIInChI=1S/C12H19NO/c1-4-13(3)10(2)12(14)11-8-6-5-7-9-11/h5-10,12,14H,4H2,1-3H3/t10-,12-/m0/s1
InChIKeyIRVLBORJKFZWMI-JQWIXIFHSA-N
XLogP2.10
TPSA23.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity154

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.28
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of Etafedrine?
The IUPAC name of Etafedrine (CID 94532) is (1R,2S)-2-[ethyl(methyl)amino]-1-phenylpropan-1-ol.
What is the SMILES notation for Etafedrine?
The canonical SMILES for Etafedrine is CCN(C)[C@@H](C)[C@@H](C1=CC=CC=C1)O.
What is the InChIKey of Etafedrine?
The InChIKey is IRVLBORJKFZWMI-JQWIXIFHSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-13(3)10(2)12(14)11-8-6-5-7-9-11/h5-10,12,14H,4H2,1-3H3/t10-,12-/m0/s1.
What are the key properties of Etafedrine?
Etafedrine has a molecular weight of 193.28 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Etafedrine is sourced from PubChem (CID 94532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).