2-[[3-(3-methoxyphenyl)cyclobutyl]amino]-1-thiophen-3-ylethanol

C17H21NO2S — CID 106434840

IUPAC2-[[3-(3-methoxyphenyl)cyclobutyl]amino]-1-thiophen-3-ylethanol
SMILESCOc1cccc(C2CC(NCC(O)c3ccsc3)C2)c1
InChIInChI=1S/C17H21NO2S/c1-20-16-4-2-3-12(9-16)14-7-15(8-14)18-10-17(19)13-5-6-21-11-13/h2-6,9,11,14-15,17-19H,7-8,10H2,1H3
InChIKeyBVGOBCBPDREMTN-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.33
Rot. Bonds6

About 2-[[3-(3-methoxyphenyl)cyclobutyl]amino]-1-thiophen-3-ylethanol

2-[[3-(3-methoxyphenyl)cyclobutyl]amino]-1-thiophen-3-ylethanol (PubChem CID 106434840) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-[[3-(3-methoxyphenyl)cyclobutyl]amino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[[3-(3-methoxyphenyl)cyclobutyl]amino]-1-thiophen-3-ylethanol
PubChem CID106434840
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC Name2-[[3-(3-methoxyphenyl)cyclobutyl]amino]-1-thiophen-3-ylethanol
SMILESCOc1cccc(C2CC(NCC(O)c3ccsc3)C2)c1
InChIInChI=1S/C17H21NO2S/c1-20-16-4-2-3-12(9-16)14-7-15(8-14)18-10-17(19)13-5-6-21-11-13/h2-6,9,11,14-15,17-19H,7-8,10H2,1H3
InChIKeyBVGOBCBPDREMTN-UHFFFAOYSA-N
XLogP3.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[3-(3-methoxyphenyl)cyclobutyl]amino]-1-thiophen-3-ylethanol 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

N-(2,3-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine
CID 64569258
3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]cyclobutan-1-ol
CID 81134353
5-(3-methoxyphenyl)-1-methyl-N-(2-methylpropyl)piperidin-3-amine
CID 83994161
2-(cyclopent-3-en-1-ylamino)-1-(3-methoxyphenyl)ethanol
CID 113475226
3-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]pentan-3-ol
CID 65107986
(E)-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-(3-methoxyphenyl)but-2-enamide
CID 111912016
3-(3-methoxyphenyl)-N-(2-methylsulfanylethyl)cyclobutan-1-amine
CID 63981363
N-(2,2-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine
CID 103699490
1-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol
CID 65105160
2-[1-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol
CID 114756110
1-(3-methoxyphenyl)-2-[(2-methylcyclopropyl)amino]ethanol
CID 81133622
N'-cyclopropyl-N-[3-(3-methoxyphenyl)cyclobutyl]-N'-methylethane-1,2-diamine
CID 62975535

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-methoxyphenyl)cyclobutyl]amino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[[3-(3-methoxyphenyl)cyclobutyl]amino]-1-thiophen-3-ylethanol (CID 106434840) is 2-[[3-(3-methoxyphenyl)cyclobutyl]amino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[[3-(3-methoxyphenyl)cyclobutyl]amino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[[3-(3-methoxyphenyl)cyclobutyl]amino]-1-thiophen-3-ylethanol is COc1cccc(C2CC(NCC(O)c3ccsc3)C2)c1.
What is the InChIKey of 2-[[3-(3-methoxyphenyl)cyclobutyl]amino]-1-thiophen-3-ylethanol?
The InChIKey is BVGOBCBPDREMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-20-16-4-2-3-12(9-16)14-7-15(8-14)18-10-17(19)13-5-6-21-11-13/h2-6,9,11,14-15,17-19H,7-8,10H2,1H3.
What are the key properties of 2-[[3-(3-methoxyphenyl)cyclobutyl]amino]-1-thiophen-3-ylethanol?
2-[[3-(3-methoxyphenyl)cyclobutyl]amino]-1-thiophen-3-ylethanol has a molecular weight of 303.43 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-methoxyphenyl)cyclobutyl]amino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 106434840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).