(1R)-2-[methyl-[[3-(morpholin-4-ylmethyl)phenyl]methyl]amino]-1-phenylethanol

C21H28N2O2 — CID 129457730

IUPAC(1R)-2-[methyl-[[3-(morpholin-4-ylmethyl)phenyl]methyl]amino]-1-phenylethanol
SMILESCN(Cc1cccc(CN2CCOCC2)c1)C[C@H](O)c1ccccc1
InChIInChI=1S/C21H28N2O2/c1-22(17-21(24)20-8-3-2-4-9-20)15-18-6-5-7-19(14-18)16-23-10-12-25-13-11-23/h2-9,14,21,24H,10-13,15-17H2,1H3/t21-/m0/s1
InChIKeyQPEBSYCGLBCWIH-NRFANRHFSA-N
MW340.47 g/mol
LogP2.68
Rot. Bonds7

About (1R)-2-[methyl-[[3-(morpholin-4-ylmethyl)phenyl]methyl]amino]-1-phenylethanol

(1R)-2-[methyl-[[3-(morpholin-4-ylmethyl)phenyl]methyl]amino]-1-phenylethanol (PubChem CID 129457730) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is (1R)-2-[methyl-[[3-(morpholin-4-ylmethyl)phenyl]methyl]amino]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[methyl-[[3-(morpholin-4-ylmethyl)phenyl]methyl]amino]-1-phenylethanol
PubChem CID129457730
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name(1R)-2-[methyl-[[3-(morpholin-4-ylmethyl)phenyl]methyl]amino]-1-phenylethanol
SMILESCN(Cc1cccc(CN2CCOCC2)c1)C[C@H](O)c1ccccc1
InChIInChI=1S/C21H28N2O2/c1-22(17-21(24)20-8-3-2-4-9-20)15-18-6-5-7-19(14-18)16-23-10-12-25-13-11-23/h2-9,14,21,24H,10-13,15-17H2,1H3/t21-/m0/s1
InChIKeyQPEBSYCGLBCWIH-NRFANRHFSA-N
XLogP2.68
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;[3-(morpholin-4-ylmethyl)phenyl]methanol
CID 164591484
1-[2-(dimethylamino)-2-phenylethyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 55924789
N,N-dimethyl-3-(morpholin-4-ylmethyl)aniline
CID 58543772
1-ethyl-3-(3-hydroxy-3-phenylpropyl)-2-[[3-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111665551
(1R)-2-[benzyl(methyl)amino]-1-(3-iodophenyl)ethanol
CID 92857425
2-[methyl(methylsulfonyl)amino]-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylacetamide
CID 133190535
1-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111423789
N-(isoquinolin-5-ylmethyl)-N-methyl-1-[3-(morpholin-4-ylmethyl)phenyl]methanamine
CID 56900362
2-[(3-chloro-4-methoxyphenyl)methyl-methylamino]-1-phenylethanol
CID 20766059
N-benzhydryl-3-(morpholin-4-ylmethyl)benzamide
CID 43908479
1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 3817099
3-(morpholin-4-ylmethyl)-N-[(2R)-2-phenylpropyl]benzamide
CID 95237190

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[methyl-[[3-(morpholin-4-ylmethyl)phenyl]methyl]amino]-1-phenylethanol?
The IUPAC name of (1R)-2-[methyl-[[3-(morpholin-4-ylmethyl)phenyl]methyl]amino]-1-phenylethanol (CID 129457730) is (1R)-2-[methyl-[[3-(morpholin-4-ylmethyl)phenyl]methyl]amino]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[methyl-[[3-(morpholin-4-ylmethyl)phenyl]methyl]amino]-1-phenylethanol?
The canonical SMILES for (1R)-2-[methyl-[[3-(morpholin-4-ylmethyl)phenyl]methyl]amino]-1-phenylethanol is CN(Cc1cccc(CN2CCOCC2)c1)C[C@H](O)c1ccccc1.
What is the InChIKey of (1R)-2-[methyl-[[3-(morpholin-4-ylmethyl)phenyl]methyl]amino]-1-phenylethanol?
The InChIKey is QPEBSYCGLBCWIH-NRFANRHFSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-22(17-21(24)20-8-3-2-4-9-20)15-18-6-5-7-19(14-18)16-23-10-12-25-13-11-23/h2-9,14,21,24H,10-13,15-17H2,1H3/t21-/m0/s1.
What are the key properties of (1R)-2-[methyl-[[3-(morpholin-4-ylmethyl)phenyl]methyl]amino]-1-phenylethanol?
(1R)-2-[methyl-[[3-(morpholin-4-ylmethyl)phenyl]methyl]amino]-1-phenylethanol has a molecular weight of 340.47 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[methyl-[[3-(morpholin-4-ylmethyl)phenyl]methyl]amino]-1-phenylethanol is sourced from PubChem (CID 129457730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).