(2S)-1-ethoxy-3-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol

C17H25NO2 — CID 97158574

IUPAC(2S)-1-ethoxy-3-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol
SMILESCCOC[C@@H](O)CN1CC=C(c2cccc(C)c2)CC1
InChIInChI=1S/C17H25NO2/c1-3-20-13-17(19)12-18-9-7-15(8-10-18)16-6-4-5-14(2)11-16/h4-7,11,17,19H,3,8-10,12-13H2,1-2H3/t17-/m0/s1
InChIKeyQIHFDRVSRUVUCI-KRWDZBQOSA-N
MW275.39 g/mol
LogP2.48
Rot. Bonds6

About (2S)-1-ethoxy-3-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol

(2S)-1-ethoxy-3-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol (PubChem CID 97158574) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (2S)-1-ethoxy-3-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-ethoxy-3-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol
PubChem CID97158574
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(2S)-1-ethoxy-3-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol
SMILESCCOC[C@@H](O)CN1CC=C(c2cccc(C)c2)CC1
InChIInChI=1S/C17H25NO2/c1-3-20-13-17(19)12-18-9-7-15(8-10-18)16-6-4-5-14(2)11-16/h4-7,11,17,19H,3,8-10,12-13H2,1-2H3/t17-/m0/s1
InChIKeyQIHFDRVSRUVUCI-KRWDZBQOSA-N
XLogP2.48
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethoxy-3-[4-(3-methylphenyl)piperazin-1-yl]propan-2-ol
CID 63933549
1-(2-methylphenoxy)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-ol
CID 21465447
2-[[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pentanedinitrile
CID 75440799
(2R)-1-[4-(3-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 125140095
[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-[(1S,2S)-2-(3-methylphenyl)cyclopropyl]methanone
CID 95613710
1-(3-ethoxy-2-hydroxypropyl)piperidin-4-one
CID 63931756
1-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 154320676
(2S)-1-[4-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]piperazin-1-yl]-3-(3-methylphenoxy)propan-2-ol
CID 1119168
1-ethoxy-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-ol
CID 63933575
2-(3-ethoxy-2-hydroxypropyl)-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 104559511
1-[2-(3-methylphenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine
CID 142244772
1-ethoxy-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol
CID 63934170

Frequently Asked Questions

What is the IUPAC name of (2S)-1-ethoxy-3-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-ethoxy-3-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol (CID 97158574) is (2S)-1-ethoxy-3-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-ethoxy-3-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-ethoxy-3-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol is CCOC[C@@H](O)CN1CC=C(c2cccc(C)c2)CC1.
What is the InChIKey of (2S)-1-ethoxy-3-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol?
The InChIKey is QIHFDRVSRUVUCI-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-20-13-17(19)12-18-9-7-15(8-10-18)16-6-4-5-14(2)11-16/h4-7,11,17,19H,3,8-10,12-13H2,1-2H3/t17-/m0/s1.
What are the key properties of (2S)-1-ethoxy-3-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol?
(2S)-1-ethoxy-3-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol has a molecular weight of 275.39 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-ethoxy-3-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol is sourced from PubChem (CID 97158574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).