(1S)-3-amino-1-(2-ethoxyphenyl)propan-1-ol

C11H17NO2 — CID 95732345

IUPAC(1S)-3-amino-1-(2-ethoxyphenyl)propan-1-ol
SMILESCCOc1ccccc1[C@@H](O)CCN
InChIInChI=1S/C11H17NO2/c1-2-14-11-6-4-3-5-9(11)10(13)7-8-12/h3-6,10,13H,2,7-8,12H2,1H3/t10-/m0/s1
InChIKeyJBNLSRIFMKAZQB-JTQLQIEISA-N
MW195.26 g/mol
LogP1.47
Rot. Bonds5

About (1S)-3-amino-1-(2-ethoxyphenyl)propan-1-ol

(1S)-3-amino-1-(2-ethoxyphenyl)propan-1-ol (PubChem CID 95732345) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is (1S)-3-amino-1-(2-ethoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name(1S)-3-amino-1-(2-ethoxyphenyl)propan-1-ol
PubChem CID95732345
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name(1S)-3-amino-1-(2-ethoxyphenyl)propan-1-ol
SMILESCCOc1ccccc1[C@@H](O)CCN
InChIInChI=1S/C11H17NO2/c1-2-14-11-6-4-3-5-9(11)10(13)7-8-12/h3-6,10,13H,2,7-8,12H2,1H3/t10-/m0/s1
InChIKeyJBNLSRIFMKAZQB-JTQLQIEISA-N
XLogP1.47
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-[2-(2-methoxyethoxy)phenyl]propan-1-ol
CID 104658969
2-chloro-1-(2-ethoxyphenyl)ethanol
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1-(2-ethoxyphenyl)-3-methylsulfonylpropan-1-ol
CID 65145486
1-(2-ethoxyphenyl)-3-methylbutan-1-ol
CID 62802877
1-(2-ethoxyphenyl)-3-methylbut-3-en-1-ol
CID 115533471
(1R)-2-amino-1-(2-butoxyphenyl)ethanol
CID 39242447
(1S)-2-amino-1-(2-butoxyphenyl)ethanol
CID 39242449
3-amino-1-(2-propan-2-ylphenyl)propan-1-ol
CID 82605381
2-(4-chlorophenoxy)-1-(2-ethoxyphenyl)ethanol
CID 105095796
ethyl 2-[2-(1-hydroxypropyl)phenoxy]acetate
CID 43503550
1-[bis(2-ethoxyphenyl)methyl]-2-ethoxybenzene
CID 173071394
(2R)-2-(2-ethoxyphenyl)-2-hydroxyacetamide
CID 94376566

Frequently Asked Questions

What is the IUPAC name of (1S)-3-amino-1-(2-ethoxyphenyl)propan-1-ol?
The IUPAC name of (1S)-3-amino-1-(2-ethoxyphenyl)propan-1-ol (CID 95732345) is (1S)-3-amino-1-(2-ethoxyphenyl)propan-1-ol.
What is the SMILES notation for (1S)-3-amino-1-(2-ethoxyphenyl)propan-1-ol?
The canonical SMILES for (1S)-3-amino-1-(2-ethoxyphenyl)propan-1-ol is CCOc1ccccc1[C@@H](O)CCN.
What is the InChIKey of (1S)-3-amino-1-(2-ethoxyphenyl)propan-1-ol?
The InChIKey is JBNLSRIFMKAZQB-JTQLQIEISA-N. The full InChI is InChI=1S/C11H17NO2/c1-2-14-11-6-4-3-5-9(11)10(13)7-8-12/h3-6,10,13H,2,7-8,12H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-3-amino-1-(2-ethoxyphenyl)propan-1-ol?
(1S)-3-amino-1-(2-ethoxyphenyl)propan-1-ol has a molecular weight of 195.26 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-amino-1-(2-ethoxyphenyl)propan-1-ol is sourced from PubChem (CID 95732345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).