(1S,2R)-1-amino-1-(3-ethoxyphenyl)propan-2-ol;hydrochloride

C11H18ClNO2 — CID 171268301

IUPAC(1S,2R)-1-amino-1-(3-ethoxyphenyl)propan-2-ol;hydrochloride
SMILESCCOc1cccc([C@H](N)[C@@H](C)O)c1.Cl
InChIInChI=1S/C11H17NO2.ClH/c1-3-14-10-6-4-5-9(7-10)11(12)8(2)13;/h4-8,11,13H,3,12H2,1-2H3;1H/t8-,11-;/m1./s1
InChIKeyLSNVWTWNMLLYRZ-JHQAJZDGSA-N
MW231.72 g/mol
LogP1.89
Rot. Bonds4

About (1S,2R)-1-amino-1-(3-ethoxyphenyl)propan-2-ol;hydrochloride

(1S,2R)-1-amino-1-(3-ethoxyphenyl)propan-2-ol;hydrochloride (PubChem CID 171268301) has the molecular formula C11H18ClNO2 and a molecular weight of 231.72 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-(3-ethoxyphenyl)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-(3-ethoxyphenyl)propan-2-ol;hydrochloride
PubChem CID171268301
Molecular FormulaC11H18ClNO2
Molecular Weight231.72 g/mol
Exact Mass231.10
IUPAC Name(1S,2R)-1-amino-1-(3-ethoxyphenyl)propan-2-ol;hydrochloride
SMILESCCOc1cccc([C@H](N)[C@@H](C)O)c1.Cl
InChIInChI=1S/C11H17NO2.ClH/c1-3-14-10-6-4-5-9(7-10)11(12)8(2)13;/h4-8,11,13H,3,12H2,1-2H3;1H/t8-,11-;/m1./s1
InChIKeyLSNVWTWNMLLYRZ-JHQAJZDGSA-N
XLogP1.89
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.72
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethoxyphenyl)-2-methylbutan-1-amine
CID 79444348
1-(3-ethoxyphenyl)-2,3-dimethylbutan-1-amine
CID 105022384
(1R,2S)-1-amino-1-(3-ethoxyphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171262632
(1S,2R)-1-amino-1-(4-ethoxyphenyl)propan-2-ol;hydrochloride
CID 171266991
(1S,2R)-1-amino-1-(3-phenylmethoxyphenyl)propan-2-ol
CID 171270166
(1S,2R)-1-amino-1-(3-phenoxyphenyl)propan-2-ol
CID 171266953
(1R)-1-(3-ethoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171225210
(1S,2R)-1-amino-1-[3-(trifluoromethoxy)phenyl]propan-2-ol;hydrochloride
CID 171161777
chloro-(3-ethoxyphenyl)methanol
CID 141156919
methyl (2S)-2-amino-2-(3-ethoxyphenyl)acetate;hydrochloride
CID 171205678
(1S)-1-(3-ethoxyphenyl)-2,2-dimethylpropan-1-amine
CID 94424615
3-amino-1-(3-ethoxyphenyl)propan-1-ol
CID 79135598

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-(3-ethoxyphenyl)propan-2-ol;hydrochloride?
The IUPAC name of (1S,2R)-1-amino-1-(3-ethoxyphenyl)propan-2-ol;hydrochloride (CID 171268301) is (1S,2R)-1-amino-1-(3-ethoxyphenyl)propan-2-ol;hydrochloride.
What is the SMILES notation for (1S,2R)-1-amino-1-(3-ethoxyphenyl)propan-2-ol;hydrochloride?
The canonical SMILES for (1S,2R)-1-amino-1-(3-ethoxyphenyl)propan-2-ol;hydrochloride is CCOc1cccc([C@H](N)[C@@H](C)O)c1.Cl.
What is the InChIKey of (1S,2R)-1-amino-1-(3-ethoxyphenyl)propan-2-ol;hydrochloride?
The InChIKey is LSNVWTWNMLLYRZ-JHQAJZDGSA-N. The full InChI is InChI=1S/C11H17NO2.ClH/c1-3-14-10-6-4-5-9(7-10)11(12)8(2)13;/h4-8,11,13H,3,12H2,1-2H3;1H/t8-,11-;/m1./s1.
What are the key properties of (1S,2R)-1-amino-1-(3-ethoxyphenyl)propan-2-ol;hydrochloride?
(1S,2R)-1-amino-1-(3-ethoxyphenyl)propan-2-ol;hydrochloride has a molecular weight of 231.72 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-1-(3-ethoxyphenyl)propan-2-ol;hydrochloride is sourced from PubChem (CID 171268301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).