3-[[3-(2-methoxyphenyl)cyclobutyl]amino]-2-methylsulfanylbutan-1-ol

C16H25NO2S — CID 106158739

IUPAC3-[[3-(2-methoxyphenyl)cyclobutyl]amino]-2-methylsulfanylbutan-1-ol
SMILESCOc1ccccc1C1CC(NC(C)C(CO)SC)C1
InChIInChI=1S/C16H25NO2S/c1-11(16(10-18)20-3)17-13-8-12(9-13)14-6-4-5-7-15(14)19-2/h4-7,11-13,16-18H,8-10H2,1-3H3
InChIKeyHMVGSTLSEYWATQ-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.64
Rot. Bonds7

About 3-[[3-(2-methoxyphenyl)cyclobutyl]amino]-2-methylsulfanylbutan-1-ol

3-[[3-(2-methoxyphenyl)cyclobutyl]amino]-2-methylsulfanylbutan-1-ol (PubChem CID 106158739) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is 3-[[3-(2-methoxyphenyl)cyclobutyl]amino]-2-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name3-[[3-(2-methoxyphenyl)cyclobutyl]amino]-2-methylsulfanylbutan-1-ol
PubChem CID106158739
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Name3-[[3-(2-methoxyphenyl)cyclobutyl]amino]-2-methylsulfanylbutan-1-ol
SMILESCOc1ccccc1C1CC(NC(C)C(CO)SC)C1
InChIInChI=1S/C16H25NO2S/c1-11(16(10-18)20-3)17-13-8-12(9-13)14-6-4-5-7-15(14)19-2/h4-7,11-13,16-18H,8-10H2,1-3H3
InChIKeyHMVGSTLSEYWATQ-UHFFFAOYSA-N
XLogP2.64
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[[3-(2-methoxyphenyl)cyclobutyl]amino]propanamide
CID 43635745
methyl 2-[[3-(2-methoxyphenyl)cyclobutyl]amino]propanoate
CID 60780597
3-[[3-(3-methylphenyl)cyclobutyl]amino]-2-methylsulfanylbutan-1-ol
CID 104530246
N-(1-cyclopropylpropan-2-yl)-3-(2-methoxyphenyl)cyclobutan-1-amine
CID 63987431
3-(2-methoxyphenyl)-N-(1-pyridin-4-ylethyl)cyclobutan-1-amine
CID 43634103
1-cyclopropyl-2-[[3-(2-methoxyphenyl)cyclobutyl]amino]ethanol
CID 63295043
3-[1-(2-methoxyphenyl)propan-2-ylamino]-2-methylsulfanylbutan-1-ol
CID 103785101
2-[[[3-(2-methoxyphenyl)cyclobutyl]amino]methyl]phenol
CID 115619481
3-(2-methoxyphenyl)-N-[1-(oxolan-3-yl)ethyl]cyclobutan-1-amine
CID 115919997
N-(2-methoxyethyl)-3-(2-methoxyphenyl)cyclobutan-1-amine
CID 43632651
N-benzyl-3-(2-methoxyphenyl)cyclobutan-1-amine
CID 43632771
4-[[3-(2-methoxyphenyl)cyclobutyl]amino]butanoic acid
CID 60782936

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-methoxyphenyl)cyclobutyl]amino]-2-methylsulfanylbutan-1-ol?
The IUPAC name of 3-[[3-(2-methoxyphenyl)cyclobutyl]amino]-2-methylsulfanylbutan-1-ol (CID 106158739) is 3-[[3-(2-methoxyphenyl)cyclobutyl]amino]-2-methylsulfanylbutan-1-ol.
What is the SMILES notation for 3-[[3-(2-methoxyphenyl)cyclobutyl]amino]-2-methylsulfanylbutan-1-ol?
The canonical SMILES for 3-[[3-(2-methoxyphenyl)cyclobutyl]amino]-2-methylsulfanylbutan-1-ol is COc1ccccc1C1CC(NC(C)C(CO)SC)C1.
What is the InChIKey of 3-[[3-(2-methoxyphenyl)cyclobutyl]amino]-2-methylsulfanylbutan-1-ol?
The InChIKey is HMVGSTLSEYWATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-11(16(10-18)20-3)17-13-8-12(9-13)14-6-4-5-7-15(14)19-2/h4-7,11-13,16-18H,8-10H2,1-3H3.
What are the key properties of 3-[[3-(2-methoxyphenyl)cyclobutyl]amino]-2-methylsulfanylbutan-1-ol?
3-[[3-(2-methoxyphenyl)cyclobutyl]amino]-2-methylsulfanylbutan-1-ol has a molecular weight of 295.45 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-methoxyphenyl)cyclobutyl]amino]-2-methylsulfanylbutan-1-ol is sourced from PubChem (CID 106158739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).