3-amino-2-(3-methoxyphenyl)-1-(2-methylsulfanylphenyl)propan-1-ol

C17H21NO2S — CID 79212579

IUPAC3-amino-2-(3-methoxyphenyl)-1-(2-methylsulfanylphenyl)propan-1-ol
SMILESCOc1cccc(C(CN)C(O)c2ccccc2SC)c1
InChIInChI=1S/C17H21NO2S/c1-20-13-7-5-6-12(10-13)15(11-18)17(19)14-8-3-4-9-16(14)21-2/h3-10,15,17,19H,11,18H2,1-2H3
InChIKeyZUJWDJARLKZNGY-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.19
Rot. Bonds6

About 3-amino-2-(3-methoxyphenyl)-1-(2-methylsulfanylphenyl)propan-1-ol

3-amino-2-(3-methoxyphenyl)-1-(2-methylsulfanylphenyl)propan-1-ol (PubChem CID 79212579) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is 3-amino-2-(3-methoxyphenyl)-1-(2-methylsulfanylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(3-methoxyphenyl)-1-(2-methylsulfanylphenyl)propan-1-ol
PubChem CID79212579
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC Name3-amino-2-(3-methoxyphenyl)-1-(2-methylsulfanylphenyl)propan-1-ol
SMILESCOc1cccc(C(CN)C(O)c2ccccc2SC)c1
InChIInChI=1S/C17H21NO2S/c1-20-13-7-5-6-12(10-13)15(11-18)17(19)14-8-3-4-9-16(14)21-2/h3-10,15,17,19H,11,18H2,1-2H3
InChIKeyZUJWDJARLKZNGY-UHFFFAOYSA-N
XLogP3.19
TPSA55.48 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 ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(2-fluoro-5-methylphenyl)-2-(3-methoxyphenyl)propan-1-ol
CID 65189256
3-amino-1-(3-methoxyphenyl)-2-(2-methylphenyl)propan-1-ol
CID 65186124
3-amino-2-(3-chloro-2-fluorophenyl)-1-(3-methoxyphenyl)propan-1-ol
CID 82792629
3-amino-2-(2-fluorophenyl)-1-(2-methylsulfanylphenyl)propan-1-ol
CID 79206013
4-amino-1,1,1-trifluoro-3-(3-methoxyphenyl)butan-2-ol
CID 65189932
2-(3-methoxyphenyl)-2-(2-methylsulfanylphenoxy)ethanamine
CID 63648144
3-amino-1-(2-bromophenyl)-2-(4-methoxyphenyl)propan-1-ol
CID 65185350
3-amino-2-(3-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-ol
CID 66478468
2-(2-fluorophenyl)-2-(3-methoxyphenyl)ethanamine
CID 82023293
(2-ethylphenyl)-(3-methoxyphenyl)methanol
CID 63900317
1-(3-methoxyphenyl)-2,3-dimethylbutan-1-ol
CID 114976753
(2-ethoxyphenyl)-(3-methoxyphenyl)methanol
CID 62801888

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-methoxyphenyl)-1-(2-methylsulfanylphenyl)propan-1-ol?
The IUPAC name of 3-amino-2-(3-methoxyphenyl)-1-(2-methylsulfanylphenyl)propan-1-ol (CID 79212579) is 3-amino-2-(3-methoxyphenyl)-1-(2-methylsulfanylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(3-methoxyphenyl)-1-(2-methylsulfanylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-2-(3-methoxyphenyl)-1-(2-methylsulfanylphenyl)propan-1-ol is COc1cccc(C(CN)C(O)c2ccccc2SC)c1.
What is the InChIKey of 3-amino-2-(3-methoxyphenyl)-1-(2-methylsulfanylphenyl)propan-1-ol?
The InChIKey is ZUJWDJARLKZNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-20-13-7-5-6-12(10-13)15(11-18)17(19)14-8-3-4-9-16(14)21-2/h3-10,15,17,19H,11,18H2,1-2H3.
What are the key properties of 3-amino-2-(3-methoxyphenyl)-1-(2-methylsulfanylphenyl)propan-1-ol?
3-amino-2-(3-methoxyphenyl)-1-(2-methylsulfanylphenyl)propan-1-ol has a molecular weight of 303.43 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-methoxyphenyl)-1-(2-methylsulfanylphenyl)propan-1-ol is sourced from PubChem (CID 79212579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).