(1S)-3-amino-1-(2-ethoxyphenoxy)-1-phenylpropan-2-ol

C17H21NO3 — CID 70987584

IUPAC(1S)-3-amino-1-(2-ethoxyphenoxy)-1-phenylpropan-2-ol
SMILESCCOc1ccccc1O[C@@H](c1ccccc1)C(O)CN
InChIInChI=1S/C17H21NO3/c1-2-20-15-10-6-7-11-16(15)21-17(14(19)12-18)13-8-4-3-5-9-13/h3-11,14,17,19H,2,12,18H2,1H3/t14?,17-/m0/s1
InChIKeyNSRLBJFRMMPGOK-JRZJBTRGSA-N
MW287.36 g/mol
LogP2.53
Rot. Bonds7

About (1S)-3-amino-1-(2-ethoxyphenoxy)-1-phenylpropan-2-ol

(1S)-3-amino-1-(2-ethoxyphenoxy)-1-phenylpropan-2-ol (PubChem CID 70987584) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is (1S)-3-amino-1-(2-ethoxyphenoxy)-1-phenylpropan-2-ol.

Molecular Properties

Compound Name(1S)-3-amino-1-(2-ethoxyphenoxy)-1-phenylpropan-2-ol
PubChem CID70987584
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name(1S)-3-amino-1-(2-ethoxyphenoxy)-1-phenylpropan-2-ol
SMILESCCOc1ccccc1O[C@@H](c1ccccc1)C(O)CN
InChIInChI=1S/C17H21NO3/c1-2-20-15-10-6-7-11-16(15)21-17(14(19)12-18)13-8-4-3-5-9-13/h3-11,14,17,19H,2,12,18H2,1H3/t14?,17-/m0/s1
InChIKeyNSRLBJFRMMPGOK-JRZJBTRGSA-N
XLogP2.53
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1S)-3-amino-1-(2-ethoxyphenoxy)-1-phenylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-1-(2-ethoxyphenoxy)-1-phenylpropan-2-ol;methanesulfonic acid
CID 46780268
2-(2-ethoxyphenoxy)-1-phenylethanol
CID 60730563
3-(2-ethoxyphenoxy)-2-methoxy-N-methyl-3-phenylpropan-1-amine
CID 23458367
1-(2-ethoxyphenyl)-2-methoxy-2-phenylethanol
CID 116757008
2-ethoxy-1-(2-ethoxyphenyl)-2-phenylethanol
CID 116757235
2-(2-ethoxyphenoxy)propanoic acid
CID 16771653
2-(2-ethoxyphenoxy)propane-1,3-diol
CID 3030872
2-[(1S,2S)-2-(2-ethoxyphenoxy)-1-methoxy-2-phenylethyl]-4,5-dihydro-1H-imidazole
CID 163084362
(1S)-3-amino-1-(2-ethoxyphenyl)propan-1-ol
CID 95732345
1-(2-ethoxyphenyl)-2-hydroxy-2-phenylethanone
CID 22096604
methyl 2-(2-ethoxyphenoxy)propanoate
CID 60643182
1-(2-ethoxyphenoxy)butan-2-ol
CID 60878017

Frequently Asked Questions

What is the IUPAC name of (1S)-3-amino-1-(2-ethoxyphenoxy)-1-phenylpropan-2-ol?
The IUPAC name of (1S)-3-amino-1-(2-ethoxyphenoxy)-1-phenylpropan-2-ol (CID 70987584) is (1S)-3-amino-1-(2-ethoxyphenoxy)-1-phenylpropan-2-ol.
What is the SMILES notation for (1S)-3-amino-1-(2-ethoxyphenoxy)-1-phenylpropan-2-ol?
The canonical SMILES for (1S)-3-amino-1-(2-ethoxyphenoxy)-1-phenylpropan-2-ol is CCOc1ccccc1O[C@@H](c1ccccc1)C(O)CN.
What is the InChIKey of (1S)-3-amino-1-(2-ethoxyphenoxy)-1-phenylpropan-2-ol?
The InChIKey is NSRLBJFRMMPGOK-JRZJBTRGSA-N. The full InChI is InChI=1S/C17H21NO3/c1-2-20-15-10-6-7-11-16(15)21-17(14(19)12-18)13-8-4-3-5-9-13/h3-11,14,17,19H,2,12,18H2,1H3/t14?,17-/m0/s1.
What are the key properties of (1S)-3-amino-1-(2-ethoxyphenoxy)-1-phenylpropan-2-ol?
(1S)-3-amino-1-(2-ethoxyphenoxy)-1-phenylpropan-2-ol has a molecular weight of 287.36 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-amino-1-(2-ethoxyphenoxy)-1-phenylpropan-2-ol is sourced from PubChem (CID 70987584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).