3-amino-2-(2-chloro-6-fluorophenyl)-1-(3-methylthiophen-2-yl)propan-1-ol

C14H15ClFNOS — CID 65186628

IUPAC3-amino-2-(2-chloro-6-fluorophenyl)-1-(3-methylthiophen-2-yl)propan-1-ol
SMILESCc1ccsc1C(O)C(CN)c1c(F)cccc1Cl
InChIInChI=1S/C14H15ClFNOS/c1-8-5-6-19-14(8)13(18)9(7-17)12-10(15)3-2-4-11(12)16/h2-6,9,13,18H,7,17H2,1H3
InChIKeyAMOOWTQTQXSYBZ-UHFFFAOYSA-N
MW299.80 g/mol
LogP3.62
Rot. Bonds4

About 3-amino-2-(2-chloro-6-fluorophenyl)-1-(3-methylthiophen-2-yl)propan-1-ol

3-amino-2-(2-chloro-6-fluorophenyl)-1-(3-methylthiophen-2-yl)propan-1-ol (PubChem CID 65186628) has the molecular formula C14H15ClFNOS and a molecular weight of 299.80 g/mol. Its IUPAC name is 3-amino-2-(2-chloro-6-fluorophenyl)-1-(3-methylthiophen-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(2-chloro-6-fluorophenyl)-1-(3-methylthiophen-2-yl)propan-1-ol
PubChem CID65186628
Molecular FormulaC14H15ClFNOS
Molecular Weight299.80 g/mol
Exact Mass299.05
IUPAC Name3-amino-2-(2-chloro-6-fluorophenyl)-1-(3-methylthiophen-2-yl)propan-1-ol
SMILESCc1ccsc1C(O)C(CN)c1c(F)cccc1Cl
InChIInChI=1S/C14H15ClFNOS/c1-8-5-6-19-14(8)13(18)9(7-17)12-10(15)3-2-4-11(12)16/h2-6,9,13,18H,7,17H2,1H3
InChIKeyAMOOWTQTQXSYBZ-UHFFFAOYSA-N
XLogP3.62
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-chloro-6-fluorophenyl)-1-(3-methylthiophen-2-yl)propan-1-ol?
The IUPAC name of 3-amino-2-(2-chloro-6-fluorophenyl)-1-(3-methylthiophen-2-yl)propan-1-ol (CID 65186628) is 3-amino-2-(2-chloro-6-fluorophenyl)-1-(3-methylthiophen-2-yl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(2-chloro-6-fluorophenyl)-1-(3-methylthiophen-2-yl)propan-1-ol?
The canonical SMILES for 3-amino-2-(2-chloro-6-fluorophenyl)-1-(3-methylthiophen-2-yl)propan-1-ol is Cc1ccsc1C(O)C(CN)c1c(F)cccc1Cl.
What is the InChIKey of 3-amino-2-(2-chloro-6-fluorophenyl)-1-(3-methylthiophen-2-yl)propan-1-ol?
The InChIKey is AMOOWTQTQXSYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNOS/c1-8-5-6-19-14(8)13(18)9(7-17)12-10(15)3-2-4-11(12)16/h2-6,9,13,18H,7,17H2,1H3.
What are the key properties of 3-amino-2-(2-chloro-6-fluorophenyl)-1-(3-methylthiophen-2-yl)propan-1-ol?
3-amino-2-(2-chloro-6-fluorophenyl)-1-(3-methylthiophen-2-yl)propan-1-ol has a molecular weight of 299.80 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-chloro-6-fluorophenyl)-1-(3-methylthiophen-2-yl)propan-1-ol is sourced from PubChem (CID 65186628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).