(1R,2S)-2-[ethyl(methyl)amino]-1-phenylpropan-1-ol;hydrochloride

C12H20ClNO — CID 76964725

IUPAC(1R,2S)-2-[ethyl(methyl)amino]-1-phenylpropan-1-ol;hydrochloride
SMILESCCN(C)[C@@H](C)[C@H](O)c1ccccc1.Cl
InChIInChI=1S/C12H19NO.ClH/c1-4-13(3)10(2)12(14)11-8-6-5-7-9-11;/h5-10,12,14H,4H2,1-3H3;1H/t10-,12-;/m0./s1
InChIKeyWRONACHIHQGZSD-JGAZGGJJSA-N
MW229.75 g/mol
LogP2.48
Rot. Bonds4

About (1R,2S)-2-[ethyl(methyl)amino]-1-phenylpropan-1-ol;hydrochloride

(1R,2S)-2-[ethyl(methyl)amino]-1-phenylpropan-1-ol;hydrochloride (PubChem CID 76964725) has the molecular formula C12H20ClNO and a molecular weight of 229.75 g/mol. Its IUPAC name is (1R,2S)-2-[ethyl(methyl)amino]-1-phenylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name(1R,2S)-2-[ethyl(methyl)amino]-1-phenylpropan-1-ol;hydrochloride
PubChem CID76964725
Molecular FormulaC12H20ClNO
Molecular Weight229.75 g/mol
Exact Mass229.12
IUPAC Name(1R,2S)-2-[ethyl(methyl)amino]-1-phenylpropan-1-ol;hydrochloride
SMILESCCN(C)[C@@H](C)[C@H](O)c1ccccc1.Cl
InChIInChI=1S/C12H19NO.ClH/c1-4-13(3)10(2)12(14)11-8-6-5-7-9-11;/h5-10,12,14H,4H2,1-3H3;1H/t10-,12-;/m0./s1
InChIKeyWRONACHIHQGZSD-JGAZGGJJSA-N
XLogP2.48
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.75
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-[ethyl(methyl)amino]-1-phenylpropan-1-ol;hydrochloride?
The IUPAC name of (1R,2S)-2-[ethyl(methyl)amino]-1-phenylpropan-1-ol;hydrochloride (CID 76964725) is (1R,2S)-2-[ethyl(methyl)amino]-1-phenylpropan-1-ol;hydrochloride.
What is the SMILES notation for (1R,2S)-2-[ethyl(methyl)amino]-1-phenylpropan-1-ol;hydrochloride?
The canonical SMILES for (1R,2S)-2-[ethyl(methyl)amino]-1-phenylpropan-1-ol;hydrochloride is CCN(C)[C@@H](C)[C@H](O)c1ccccc1.Cl.
What is the InChIKey of (1R,2S)-2-[ethyl(methyl)amino]-1-phenylpropan-1-ol;hydrochloride?
The InChIKey is WRONACHIHQGZSD-JGAZGGJJSA-N. The full InChI is InChI=1S/C12H19NO.ClH/c1-4-13(3)10(2)12(14)11-8-6-5-7-9-11;/h5-10,12,14H,4H2,1-3H3;1H/t10-,12-;/m0./s1.
What are the key properties of (1R,2S)-2-[ethyl(methyl)amino]-1-phenylpropan-1-ol;hydrochloride?
(1R,2S)-2-[ethyl(methyl)amino]-1-phenylpropan-1-ol;hydrochloride has a molecular weight of 229.75 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-[ethyl(methyl)amino]-1-phenylpropan-1-ol;hydrochloride is sourced from PubChem (CID 76964725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).