(2R)-2-[[5-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]thiophen-2-yl]methylamino]-2-phenylethanol

C22H26N2O2S — CID 135031141

IUPAC(2R)-2-[[5-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]thiophen-2-yl]methylamino]-2-phenylethanol
SMILESOC[C@H](NCc1ccc(CN[C@@H](CO)c2ccccc2)s1)c1ccccc1
InChIInChI=1S/C22H26N2O2S/c25-15-21(17-7-3-1-4-8-17)23-13-19-11-12-20(27-19)14-24-22(16-26)18-9-5-2-6-10-18/h1-12,21-26H,13-16H2/t21-,22-/m0/s1
InChIKeySDBWYISQKVYGHG-VXKWHMMOSA-N
MW382.53 g/mol
LogP3.39
Rot. Bonds10

About (2R)-2-[[5-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]thiophen-2-yl]methylamino]-2-phenylethanol

(2R)-2-[[5-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]thiophen-2-yl]methylamino]-2-phenylethanol (PubChem CID 135031141) has the molecular formula C22H26N2O2S and a molecular weight of 382.53 g/mol. Its IUPAC name is (2R)-2-[[5-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]thiophen-2-yl]methylamino]-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-[[5-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]thiophen-2-yl]methylamino]-2-phenylethanol
PubChem CID135031141
Molecular FormulaC22H26N2O2S
Molecular Weight382.53 g/mol
Exact Mass382.17
IUPAC Name(2R)-2-[[5-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]thiophen-2-yl]methylamino]-2-phenylethanol
SMILESOC[C@H](NCc1ccc(CN[C@@H](CO)c2ccccc2)s1)c1ccccc1
InChIInChI=1S/C22H26N2O2S/c25-15-21(17-7-3-1-4-8-17)23-13-19-11-12-20(27-19)14-24-22(16-26)18-9-5-2-6-10-18/h1-12,21-26H,13-16H2/t21-,22-/m0/s1
InChIKeySDBWYISQKVYGHG-VXKWHMMOSA-N
XLogP3.39
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 53.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[[5-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]thiophen-2-yl]methylamino]-2-phenylethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[5-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]thiophen-2-yl]methylamino]-2-phenylethanol?
The IUPAC name of (2R)-2-[[5-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]thiophen-2-yl]methylamino]-2-phenylethanol (CID 135031141) is (2R)-2-[[5-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]thiophen-2-yl]methylamino]-2-phenylethanol.
What is the SMILES notation for (2R)-2-[[5-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]thiophen-2-yl]methylamino]-2-phenylethanol?
The canonical SMILES for (2R)-2-[[5-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]thiophen-2-yl]methylamino]-2-phenylethanol is OC[C@H](NCc1ccc(CN[C@@H](CO)c2ccccc2)s1)c1ccccc1.
What is the InChIKey of (2R)-2-[[5-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]thiophen-2-yl]methylamino]-2-phenylethanol?
The InChIKey is SDBWYISQKVYGHG-VXKWHMMOSA-N. The full InChI is InChI=1S/C22H26N2O2S/c25-15-21(17-7-3-1-4-8-17)23-13-19-11-12-20(27-19)14-24-22(16-26)18-9-5-2-6-10-18/h1-12,21-26H,13-16H2/t21-,22-/m0/s1.
What are the key properties of (2R)-2-[[5-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]thiophen-2-yl]methylamino]-2-phenylethanol?
(2R)-2-[[5-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]thiophen-2-yl]methylamino]-2-phenylethanol has a molecular weight of 382.53 g/mol, XLogP of 3.39, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[5-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]thiophen-2-yl]methylamino]-2-phenylethanol is sourced from PubChem (CID 135031141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).