(1R)-2-[[(1R)-1-(3,4-dimethoxyphenyl)-2-phenylethyl]amino]-1-pyridin-3-ylethanol

C23H26N2O3 — CID 22881914

IUPAC(1R)-2-[[(1R)-1-(3,4-dimethoxyphenyl)-2-phenylethyl]amino]-1-pyridin-3-ylethanol
SMILESCOc1ccc([C@@H](Cc2ccccc2)NC[C@H](O)c2cccnc2)cc1OC
InChIInChI=1S/C23H26N2O3/c1-27-22-11-10-18(14-23(22)28-2)20(13-17-7-4-3-5-8-17)25-16-21(26)19-9-6-12-24-15-19/h3-12,14-15,20-21,25-26H,13,16H2,1-2H3/t20-,21+/m1/s1
InChIKeyFDAKFJZYIKPOEB-RTWAWAEBSA-N
MW378.47 g/mol
LogP3.71
Rot. Bonds9

About (1R)-2-[[(1R)-1-(3,4-dimethoxyphenyl)-2-phenylethyl]amino]-1-pyridin-3-ylethanol

(1R)-2-[[(1R)-1-(3,4-dimethoxyphenyl)-2-phenylethyl]amino]-1-pyridin-3-ylethanol (PubChem CID 22881914) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is (1R)-2-[[(1R)-1-(3,4-dimethoxyphenyl)-2-phenylethyl]amino]-1-pyridin-3-ylethanol.

Molecular Properties

Compound Name(1R)-2-[[(1R)-1-(3,4-dimethoxyphenyl)-2-phenylethyl]amino]-1-pyridin-3-ylethanol
PubChem CID22881914
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name(1R)-2-[[(1R)-1-(3,4-dimethoxyphenyl)-2-phenylethyl]amino]-1-pyridin-3-ylethanol
SMILESCOc1ccc([C@@H](Cc2ccccc2)NC[C@H](O)c2cccnc2)cc1OC
InChIInChI=1S/C23H26N2O3/c1-27-22-11-10-18(14-23(22)28-2)20(13-17-7-4-3-5-8-17)25-16-21(26)19-9-6-12-24-15-19/h3-12,14-15,20-21,25-26H,13,16H2,1-2H3/t20-,21+/m1/s1
InChIKeyFDAKFJZYIKPOEB-RTWAWAEBSA-N
XLogP3.71
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1R)-2-[[(1R)-1-(3,4-dimethoxyphenyl)-2-phenylethyl]amino]-1-pyridin-3-ylethanol with MolForge

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Related Compounds

2-[1-(3,4-dimethoxyphenyl)propylamino]-1-phenylethanol
CID 57000376
2-(3,4-dimethoxyphenyl)-N-methyl-1-pyridin-3-ylethanamine
CID 60924306
(1R)-2-phenyl-1-pyridin-3-ylethanol
CID 93312258
(2S)-1-[[1-(3,4-dimethoxyphenyl)-2-phenylethyl]amino]-3-(4-phenylmethoxyphenoxy)propan-2-ol
CID 22863117
(1S)-1-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)propan-1-amine
CID 948867
1-(2H-benzotriazol-5-yloxy)-3-[[1-(3,4-dimethoxyphenyl)-2-phenylethyl]amino]propan-2-ol
CID 19694495
2-[1-(3,4-dimethoxyphenyl)butan-2-ylamino]-1-phenylethanol
CID 18628046
1-phenyl-2-(1-pyridin-3-ylethylamino)ethanol
CID 43499221
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 99903169
N-[1-(4-chloro-3-methoxyphenyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 79700355
N-[2-(4-methoxyphenyl)-1-pyridin-3-ylethyl]propan-1-amine
CID 61064118
(1R)-2-[[(2R)-1-(3,4-dimethoxyphenyl)pentan-2-yl]amino]-1-phenylethanol
CID 54523687

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[[(1R)-1-(3,4-dimethoxyphenyl)-2-phenylethyl]amino]-1-pyridin-3-ylethanol?
The IUPAC name of (1R)-2-[[(1R)-1-(3,4-dimethoxyphenyl)-2-phenylethyl]amino]-1-pyridin-3-ylethanol (CID 22881914) is (1R)-2-[[(1R)-1-(3,4-dimethoxyphenyl)-2-phenylethyl]amino]-1-pyridin-3-ylethanol.
What is the SMILES notation for (1R)-2-[[(1R)-1-(3,4-dimethoxyphenyl)-2-phenylethyl]amino]-1-pyridin-3-ylethanol?
The canonical SMILES for (1R)-2-[[(1R)-1-(3,4-dimethoxyphenyl)-2-phenylethyl]amino]-1-pyridin-3-ylethanol is COc1ccc([C@@H](Cc2ccccc2)NC[C@H](O)c2cccnc2)cc1OC.
What is the InChIKey of (1R)-2-[[(1R)-1-(3,4-dimethoxyphenyl)-2-phenylethyl]amino]-1-pyridin-3-ylethanol?
The InChIKey is FDAKFJZYIKPOEB-RTWAWAEBSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-27-22-11-10-18(14-23(22)28-2)20(13-17-7-4-3-5-8-17)25-16-21(26)19-9-6-12-24-15-19/h3-12,14-15,20-21,25-26H,13,16H2,1-2H3/t20-,21+/m1/s1.
What are the key properties of (1R)-2-[[(1R)-1-(3,4-dimethoxyphenyl)-2-phenylethyl]amino]-1-pyridin-3-ylethanol?
(1R)-2-[[(1R)-1-(3,4-dimethoxyphenyl)-2-phenylethyl]amino]-1-pyridin-3-ylethanol has a molecular weight of 378.47 g/mol, XLogP of 3.71, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[[(1R)-1-(3,4-dimethoxyphenyl)-2-phenylethyl]amino]-1-pyridin-3-ylethanol is sourced from PubChem (CID 22881914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).