3-[1-(2-methoxyphenyl)propan-2-ylamino]-2-methylsulfanylbutan-1-ol

C15H25NO2S — CID 103785101

IUPAC3-[1-(2-methoxyphenyl)propan-2-ylamino]-2-methylsulfanylbutan-1-ol
SMILESCOc1ccccc1CC(C)NC(C)C(CO)SC
InChIInChI=1S/C15H25NO2S/c1-11(16-12(2)15(10-17)19-4)9-13-7-5-6-8-14(13)18-3/h5-8,11-12,15-17H,9-10H2,1-4H3
InChIKeyXXIAJYLGAXLTPY-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.33
Rot. Bonds8

About 3-[1-(2-methoxyphenyl)propan-2-ylamino]-2-methylsulfanylbutan-1-ol

3-[1-(2-methoxyphenyl)propan-2-ylamino]-2-methylsulfanylbutan-1-ol (PubChem CID 103785101) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 3-[1-(2-methoxyphenyl)propan-2-ylamino]-2-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name3-[1-(2-methoxyphenyl)propan-2-ylamino]-2-methylsulfanylbutan-1-ol
PubChem CID103785101
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name3-[1-(2-methoxyphenyl)propan-2-ylamino]-2-methylsulfanylbutan-1-ol
SMILESCOc1ccccc1CC(C)NC(C)C(CO)SC
InChIInChI=1S/C15H25NO2S/c1-11(16-12(2)15(10-17)19-4)9-13-7-5-6-8-14(13)18-3/h5-8,11-12,15-17H,9-10H2,1-4H3
InChIKeyXXIAJYLGAXLTPY-UHFFFAOYSA-N
XLogP2.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]-2-methylsulfanylbutan-1-ol
CID 103785160
1-(2-methoxyphenyl)-N-(1-methylsulfanylpropan-2-yl)propan-2-amine
CID 115721693
2-[1-(2-methoxyphenyl)propan-2-ylamino]ethanol
CID 18627851
methyl (2S)-2-[1-(2-methoxyphenyl)propan-2-ylamino]propanoate
CID 43786749
N-[1-(2-methoxyphenyl)propan-2-yl]-2,6-dimethylheptan-4-amine
CID 63452997
5-[1-(2-methoxyphenyl)propan-2-ylamino]-2-methylpentan-1-ol
CID 103905511
2-[1-(2-methoxyphenyl)propan-2-ylamino]-3-methylbutanamide
CID 106344173
N-(2-fluoroethyl)-1-(2-methoxyphenyl)propan-2-amine
CID 110174086
1-(2-methoxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]propan-2-amine
CID 60936055
(2R)-1-(2-methoxyphenyl)propan-2-ol
CID 6951555
1-(2-methoxyphenyl)propan-2-ylurea
CID 21433825
1-(2-methoxyphenyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]propan-2-amine
CID 119165092

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methoxyphenyl)propan-2-ylamino]-2-methylsulfanylbutan-1-ol?
The IUPAC name of 3-[1-(2-methoxyphenyl)propan-2-ylamino]-2-methylsulfanylbutan-1-ol (CID 103785101) is 3-[1-(2-methoxyphenyl)propan-2-ylamino]-2-methylsulfanylbutan-1-ol.
What is the SMILES notation for 3-[1-(2-methoxyphenyl)propan-2-ylamino]-2-methylsulfanylbutan-1-ol?
The canonical SMILES for 3-[1-(2-methoxyphenyl)propan-2-ylamino]-2-methylsulfanylbutan-1-ol is COc1ccccc1CC(C)NC(C)C(CO)SC.
What is the InChIKey of 3-[1-(2-methoxyphenyl)propan-2-ylamino]-2-methylsulfanylbutan-1-ol?
The InChIKey is XXIAJYLGAXLTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-11(16-12(2)15(10-17)19-4)9-13-7-5-6-8-14(13)18-3/h5-8,11-12,15-17H,9-10H2,1-4H3.
What are the key properties of 3-[1-(2-methoxyphenyl)propan-2-ylamino]-2-methylsulfanylbutan-1-ol?
3-[1-(2-methoxyphenyl)propan-2-ylamino]-2-methylsulfanylbutan-1-ol has a molecular weight of 283.44 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methoxyphenyl)propan-2-ylamino]-2-methylsulfanylbutan-1-ol is sourced from PubChem (CID 103785101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).