(2S)-1-ethoxy-3-[methyl-[(2S)-2-phenylpropyl]amino]propan-2-ol

C15H25NO2 — CID 95626159

IUPAC(2S)-1-ethoxy-3-[methyl-[(2S)-2-phenylpropyl]amino]propan-2-ol
SMILESCCOC[C@@H](O)CN(C)C[C@@H](C)c1ccccc1
InChIInChI=1S/C15H25NO2/c1-4-18-12-15(17)11-16(3)10-13(2)14-8-6-5-7-9-14/h5-9,13,15,17H,4,10-12H2,1-3H3/t13-,15+/m1/s1
InChIKeyNRKVAHZJFVSLJT-HIFRSBDPSA-N
MW251.37 g/mol
LogP2.12
Rot. Bonds8

About (2S)-1-ethoxy-3-[methyl-[(2S)-2-phenylpropyl]amino]propan-2-ol

(2S)-1-ethoxy-3-[methyl-[(2S)-2-phenylpropyl]amino]propan-2-ol (PubChem CID 95626159) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is (2S)-1-ethoxy-3-[methyl-[(2S)-2-phenylpropyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-ethoxy-3-[methyl-[(2S)-2-phenylpropyl]amino]propan-2-ol
PubChem CID95626159
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name(2S)-1-ethoxy-3-[methyl-[(2S)-2-phenylpropyl]amino]propan-2-ol
SMILESCCOC[C@@H](O)CN(C)C[C@@H](C)c1ccccc1
InChIInChI=1S/C15H25NO2/c1-4-18-12-15(17)11-16(3)10-13(2)14-8-6-5-7-9-14/h5-9,13,15,17H,4,10-12H2,1-3H3/t13-,15+/m1/s1
InChIKeyNRKVAHZJFVSLJT-HIFRSBDPSA-N
XLogP2.12
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-ethoxy-3-[methyl-[(2R)-2-phenylpropyl]amino]propan-2-ol
CID 98764184
1-ethoxy-3-(2-phenylpropylamino)propan-2-ol
CID 113430199
(1S)-2-[methyl-[(2S)-2-phenylpropyl]amino]-1-phenylethanol
CID 40768444
3-[(3-ethoxy-2-hydroxypropyl)-methylamino]-2-methylpropanoic acid
CID 63933197
1-ethoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78954638
1-[methyl(propyl)amino]-3-phenylmethoxypropan-2-ol
CID 62064652
1-ethoxy-3-[2-hydroxyethyl(methyl)amino]propan-2-ol
CID 63934385
[(2R)-4-ethoxybutan-2-yl]benzene
CID 67208388
(2R)-N,N-dimethyl-2-phenylpropan-1-amine
CID 59474206
1-[2-(dimethylamino)ethyl-methylamino]-3-ethoxypropan-2-ol
CID 63932351
1-ethoxy-3-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol
CID 80710339
2-(1-ethoxypropan-2-yloxy)-1-phenylethanol
CID 103489701

Frequently Asked Questions

What is the IUPAC name of (2S)-1-ethoxy-3-[methyl-[(2S)-2-phenylpropyl]amino]propan-2-ol?
The IUPAC name of (2S)-1-ethoxy-3-[methyl-[(2S)-2-phenylpropyl]amino]propan-2-ol (CID 95626159) is (2S)-1-ethoxy-3-[methyl-[(2S)-2-phenylpropyl]amino]propan-2-ol.
What is the SMILES notation for (2S)-1-ethoxy-3-[methyl-[(2S)-2-phenylpropyl]amino]propan-2-ol?
The canonical SMILES for (2S)-1-ethoxy-3-[methyl-[(2S)-2-phenylpropyl]amino]propan-2-ol is CCOC[C@@H](O)CN(C)C[C@@H](C)c1ccccc1.
What is the InChIKey of (2S)-1-ethoxy-3-[methyl-[(2S)-2-phenylpropyl]amino]propan-2-ol?
The InChIKey is NRKVAHZJFVSLJT-HIFRSBDPSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-18-12-15(17)11-16(3)10-13(2)14-8-6-5-7-9-14/h5-9,13,15,17H,4,10-12H2,1-3H3/t13-,15+/m1/s1.
What are the key properties of (2S)-1-ethoxy-3-[methyl-[(2S)-2-phenylpropyl]amino]propan-2-ol?
(2S)-1-ethoxy-3-[methyl-[(2S)-2-phenylpropyl]amino]propan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-ethoxy-3-[methyl-[(2S)-2-phenylpropyl]amino]propan-2-ol is sourced from PubChem (CID 95626159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).