3-amino-2-(2-methylphenyl)-1-(4-methylsulfanylphenyl)propan-1-ol

C17H21NOS — CID 79206483

IUPAC3-amino-2-(2-methylphenyl)-1-(4-methylsulfanylphenyl)propan-1-ol
SMILESCSc1ccc(C(O)C(CN)c2ccccc2C)cc1
InChIInChI=1S/C17H21NOS/c1-12-5-3-4-6-15(12)16(11-18)17(19)13-7-9-14(20-2)10-8-13/h3-10,16-17,19H,11,18H2,1-2H3
InChIKeyFMZVJKWLGKPLFD-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.49
Rot. Bonds5

About 3-amino-2-(2-methylphenyl)-1-(4-methylsulfanylphenyl)propan-1-ol

3-amino-2-(2-methylphenyl)-1-(4-methylsulfanylphenyl)propan-1-ol (PubChem CID 79206483) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 3-amino-2-(2-methylphenyl)-1-(4-methylsulfanylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(2-methylphenyl)-1-(4-methylsulfanylphenyl)propan-1-ol
PubChem CID79206483
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name3-amino-2-(2-methylphenyl)-1-(4-methylsulfanylphenyl)propan-1-ol
SMILESCSc1ccc(C(O)C(CN)c2ccccc2C)cc1
InChIInChI=1S/C17H21NOS/c1-12-5-3-4-6-15(12)16(11-18)17(19)13-7-9-14(20-2)10-8-13/h3-10,16-17,19H,11,18H2,1-2H3
InChIKeyFMZVJKWLGKPLFD-UHFFFAOYSA-N
XLogP3.49
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(3,5-dimethylphenyl)-2-(2-methylphenyl)propan-1-ol
CID 65186415
3-amino-1-(2-fluoro-3-methylphenyl)-2-(2-methylphenyl)propan-1-ol
CID 81478773
1-amino-4-methyl-2-(2-methylphenyl)pentan-3-ol
CID 65184879
3-amino-1-(2-bromo-3-methylphenyl)-2-(2-methylphenyl)propan-1-ol
CID 107984152
3-amino-2-(4-bromophenyl)-1-(2-methylphenyl)propan-1-ol
CID 65186404
3-amino-1-(3-methoxyphenyl)-2-(2-methylphenyl)propan-1-ol
CID 65186124
3-amino-2-(2-fluorophenyl)-1-(4-fluorophenyl)propan-1-ol
CID 65185919
3-amino-2-(2-methylphenyl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-ol
CID 65185130
3-amino-2-(3,4-dichlorophenyl)-1-(2-methylphenyl)propan-1-ol
CID 65190727
1-amino-4-methyl-2-(2-methylphenyl)octan-3-ol
CID 114247128
3-amino-2-(2-chlorophenyl)-1-(4-chlorophenyl)propan-1-ol
CID 65184960
3-amino-2-(2-chlorophenyl)-1-phenylpropan-1-ol
CID 65184557

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-methylphenyl)-1-(4-methylsulfanylphenyl)propan-1-ol?
The IUPAC name of 3-amino-2-(2-methylphenyl)-1-(4-methylsulfanylphenyl)propan-1-ol (CID 79206483) is 3-amino-2-(2-methylphenyl)-1-(4-methylsulfanylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(2-methylphenyl)-1-(4-methylsulfanylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-2-(2-methylphenyl)-1-(4-methylsulfanylphenyl)propan-1-ol is CSc1ccc(C(O)C(CN)c2ccccc2C)cc1.
What is the InChIKey of 3-amino-2-(2-methylphenyl)-1-(4-methylsulfanylphenyl)propan-1-ol?
The InChIKey is FMZVJKWLGKPLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-12-5-3-4-6-15(12)16(11-18)17(19)13-7-9-14(20-2)10-8-13/h3-10,16-17,19H,11,18H2,1-2H3.
What are the key properties of 3-amino-2-(2-methylphenyl)-1-(4-methylsulfanylphenyl)propan-1-ol?
3-amino-2-(2-methylphenyl)-1-(4-methylsulfanylphenyl)propan-1-ol has a molecular weight of 287.43 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-methylphenyl)-1-(4-methylsulfanylphenyl)propan-1-ol is sourced from PubChem (CID 79206483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).