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

C16H18FNOS — CID 79206013

IUPAC3-amino-2-(2-fluorophenyl)-1-(2-methylsulfanylphenyl)propan-1-ol
SMILESCSc1ccccc1C(O)C(CN)c1ccccc1F
InChIInChI=1S/C16H18FNOS/c1-20-15-9-5-3-7-12(15)16(19)13(10-18)11-6-2-4-8-14(11)17/h2-9,13,16,19H,10,18H2,1H3
InChIKeyARNJYSKZYDWWKJ-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.32
Rot. Bonds5

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

3-amino-2-(2-fluorophenyl)-1-(2-methylsulfanylphenyl)propan-1-ol (PubChem CID 79206013) has the molecular formula C16H18FNOS and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-amino-2-(2-fluorophenyl)-1-(2-methylsulfanylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(2-fluorophenyl)-1-(2-methylsulfanylphenyl)propan-1-ol
PubChem CID79206013
Molecular FormulaC16H18FNOS
Molecular Weight291.39 g/mol
Exact Mass291.11
IUPAC Name3-amino-2-(2-fluorophenyl)-1-(2-methylsulfanylphenyl)propan-1-ol
SMILESCSc1ccccc1C(O)C(CN)c1ccccc1F
InChIInChI=1S/C16H18FNOS/c1-20-15-9-5-3-7-12(15)16(19)13(10-18)11-6-2-4-8-14(11)17/h2-9,13,16,19H,10,18H2,1H3
InChIKeyARNJYSKZYDWWKJ-UHFFFAOYSA-N
XLogP3.32
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(2,4-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 65185411
3-amino-1-(2,4-dimethylphenyl)-2-(2-fluorophenyl)propan-1-ol
CID 65185462
3-amino-2-(2-fluorophenyl)-1-(4-fluorophenyl)propan-1-ol
CID 65185919
3-amino-1-(3,5-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 65185415
3-amino-1-(4-chloro-2,5-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 82772706
3-amino-2-(2-fluorophenyl)-1-(5-methylfuran-2-yl)propan-1-ol
CID 65185914
2-methyl-1-(2-methylsulfanylphenyl)propan-1-ol
CID 115840237
3-amino-1-(2,5-dibromophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 114376051
1-amino-2-(2-fluorophenyl)-4-methylheptan-3-ol
CID 65185567
3-amino-2-(3-methoxyphenyl)-1-(2-methylsulfanylphenyl)propan-1-ol
CID 79212579
3-amino-1-(3-fluoro-4-methoxyphenyl)-2-(2-fluorophenyl)propan-1-ol
CID 65185510
3-amino-1-(2-fluoro-3-methylphenyl)-2-(2-methylphenyl)propan-1-ol
CID 81478773

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-fluorophenyl)-1-(2-methylsulfanylphenyl)propan-1-ol?
The IUPAC name of 3-amino-2-(2-fluorophenyl)-1-(2-methylsulfanylphenyl)propan-1-ol (CID 79206013) is 3-amino-2-(2-fluorophenyl)-1-(2-methylsulfanylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(2-fluorophenyl)-1-(2-methylsulfanylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-2-(2-fluorophenyl)-1-(2-methylsulfanylphenyl)propan-1-ol is CSc1ccccc1C(O)C(CN)c1ccccc1F.
What is the InChIKey of 3-amino-2-(2-fluorophenyl)-1-(2-methylsulfanylphenyl)propan-1-ol?
The InChIKey is ARNJYSKZYDWWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNOS/c1-20-15-9-5-3-7-12(15)16(19)13(10-18)11-6-2-4-8-14(11)17/h2-9,13,16,19H,10,18H2,1H3.
What are the key properties of 3-amino-2-(2-fluorophenyl)-1-(2-methylsulfanylphenyl)propan-1-ol?
3-amino-2-(2-fluorophenyl)-1-(2-methylsulfanylphenyl)propan-1-ol has a molecular weight of 291.39 g/mol, XLogP of 3.32, 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-fluorophenyl)-1-(2-methylsulfanylphenyl)propan-1-ol is sourced from PubChem (CID 79206013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).