(1R)-2-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]-1-phenylethanol

C17H23NO2S — CID 93163298

IUPAC(1R)-2-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]-1-phenylethanol
SMILESCOCCN(Cc1ccc(C)s1)C[C@H](O)c1ccccc1
InChIInChI=1S/C17H23NO2S/c1-14-8-9-16(21-14)12-18(10-11-20-2)13-17(19)15-6-4-3-5-7-15/h3-9,17,19H,10-13H2,1-2H3/t17-/m0/s1
InChIKeyWQWWYQGDJMYFBK-KRWDZBQOSA-N
MW305.44 g/mol
LogP3.24
Rot. Bonds8

About (1R)-2-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]-1-phenylethanol

(1R)-2-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]-1-phenylethanol (PubChem CID 93163298) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is (1R)-2-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]-1-phenylethanol
PubChem CID93163298
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC Name(1R)-2-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]-1-phenylethanol
SMILESCOCCN(Cc1ccc(C)s1)C[C@H](O)c1ccccc1
InChIInChI=1S/C17H23NO2S/c1-14-8-9-16(21-14)12-18(10-11-20-2)13-17(19)15-6-4-3-5-7-15/h3-9,17,19H,10-13H2,1-2H3/t17-/m0/s1
InChIKeyWQWWYQGDJMYFBK-KRWDZBQOSA-N
XLogP3.24
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-2-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]-1-phenylethanol with MolForge

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

Launch Full Analysis

Related Compounds

(1R)-2-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]-1-phenylethanol
CID 93163253
(2R)-1-[3-methoxypropyl-[(5-methylthiophen-2-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 93163531
2-[2-methoxyethyl-[(3-methoxyphenyl)methyl]amino]-1-phenylethanol
CID 24713596
2-[[(2-hydroxy-2-phenylethyl)-(2-methoxyethyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 46017968
methyl 3-[(2-hydroxy-2-phenylethyl)-(2-methoxyethyl)amino]propanoate
CID 78959230
2-[bis(2-methoxyethyl)amino]-1-(4-methoxyphenyl)ethanol
CID 60980971
4-[[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-1H-pyrazole-5-carboxylic acid
CID 91765282
(1R)-2-[(5-methylthiophen-2-yl)methylamino]-1-phenylethanol
CID 7248561
1-(2-aminophenyl)-2-[bis(2-methoxyethyl)amino]ethanol
CID 62264582
1-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol
CID 24713261
(2R)-1-[3-methylbutyl-[(5-methylthiophen-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 93163679
1-(4-aminophenyl)-2-[2-methoxyethyl(2-methylpropyl)amino]ethanol
CID 62265758

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]-1-phenylethanol?
The IUPAC name of (1R)-2-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]-1-phenylethanol (CID 93163298) is (1R)-2-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]-1-phenylethanol?
The canonical SMILES for (1R)-2-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]-1-phenylethanol is COCCN(Cc1ccc(C)s1)C[C@H](O)c1ccccc1.
What is the InChIKey of (1R)-2-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]-1-phenylethanol?
The InChIKey is WQWWYQGDJMYFBK-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H23NO2S/c1-14-8-9-16(21-14)12-18(10-11-20-2)13-17(19)15-6-4-3-5-7-15/h3-9,17,19H,10-13H2,1-2H3/t17-/m0/s1.
What are the key properties of (1R)-2-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]-1-phenylethanol?
(1R)-2-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]-1-phenylethanol has a molecular weight of 305.44 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]-1-phenylethanol is sourced from PubChem (CID 93163298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).