3-amino-1-(3-chlorothiophen-2-yl)-2-(2,6-dichlorophenyl)propan-1-ol

C13H12Cl3NOS — CID 80641792

IUPAC3-amino-1-(3-chlorothiophen-2-yl)-2-(2,6-dichlorophenyl)propan-1-ol
SMILESNCC(c1c(Cl)cccc1Cl)C(O)c1sccc1Cl
InChIInChI=1S/C13H12Cl3NOS/c14-8-2-1-3-9(15)11(8)7(6-17)12(18)13-10(16)4-5-19-13/h1-5,7,12,18H,6,17H2
InChIKeyWGGKTAGNGWBQCO-UHFFFAOYSA-N
MW336.67 g/mol
LogP4.48
Rot. Bonds4

About 3-amino-1-(3-chlorothiophen-2-yl)-2-(2,6-dichlorophenyl)propan-1-ol

3-amino-1-(3-chlorothiophen-2-yl)-2-(2,6-dichlorophenyl)propan-1-ol (PubChem CID 80641792) has the molecular formula C13H12Cl3NOS and a molecular weight of 336.67 g/mol. Its IUPAC name is 3-amino-1-(3-chlorothiophen-2-yl)-2-(2,6-dichlorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(3-chlorothiophen-2-yl)-2-(2,6-dichlorophenyl)propan-1-ol
PubChem CID80641792
Molecular FormulaC13H12Cl3NOS
Molecular Weight336.67 g/mol
Exact Mass334.97
IUPAC Name3-amino-1-(3-chlorothiophen-2-yl)-2-(2,6-dichlorophenyl)propan-1-ol
SMILESNCC(c1c(Cl)cccc1Cl)C(O)c1sccc1Cl
InChIInChI=1S/C13H12Cl3NOS/c14-8-2-1-3-9(15)11(8)7(6-17)12(18)13-10(16)4-5-19-13/h1-5,7,12,18H,6,17H2
InChIKeyWGGKTAGNGWBQCO-UHFFFAOYSA-N
XLogP4.48
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.67
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(3-chlorothiophen-2-yl)-2-(3-methylphenyl)propan-1-ol
CID 80642172
3-amino-1-(3-chlorothiophen-2-yl)-2-(3,4-dichlorophenyl)propan-1-ol
CID 80641548
3-amino-1-(2-chlorophenyl)-2-(2,6-dichlorophenyl)propan-1-ol
CID 65184824
2-(aminomethyl)-1-(3-chlorothiophen-2-yl)-3-methylbutan-1-ol
CID 80642659
(3-chlorothiophen-2-yl)-(2,6-dichlorophenyl)methanamine
CID 80529772
bis(3-chlorothiophen-2-yl)methanol
CID 80642135
3-amino-2-(3-chloro-2-fluorophenyl)-1-(3-ethylthiophen-2-yl)propan-1-ol
CID 82808604
3-amino-2-(2,6-dichlorophenyl)-1-(3-methylphenyl)propan-1-ol
CID 65184520
3-amino-1-(4-bromo-2-chlorophenyl)-2-(2,6-dichlorophenyl)propan-1-ol
CID 65184419
3-amino-1-(2,6-dichlorophenyl)propane-1,2-diol
CID 170827623
3-amino-1-(3-chlorothiophen-2-yl)propan-1-ol
CID 80641547
3-amino-2-(2,6-dichlorophenyl)-1-(2,5-dimethylphenyl)propan-1-ol
CID 65184470

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-chlorothiophen-2-yl)-2-(2,6-dichlorophenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(3-chlorothiophen-2-yl)-2-(2,6-dichlorophenyl)propan-1-ol (CID 80641792) is 3-amino-1-(3-chlorothiophen-2-yl)-2-(2,6-dichlorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(3-chlorothiophen-2-yl)-2-(2,6-dichlorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(3-chlorothiophen-2-yl)-2-(2,6-dichlorophenyl)propan-1-ol is NCC(c1c(Cl)cccc1Cl)C(O)c1sccc1Cl.
What is the InChIKey of 3-amino-1-(3-chlorothiophen-2-yl)-2-(2,6-dichlorophenyl)propan-1-ol?
The InChIKey is WGGKTAGNGWBQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl3NOS/c14-8-2-1-3-9(15)11(8)7(6-17)12(18)13-10(16)4-5-19-13/h1-5,7,12,18H,6,17H2.
What are the key properties of 3-amino-1-(3-chlorothiophen-2-yl)-2-(2,6-dichlorophenyl)propan-1-ol?
3-amino-1-(3-chlorothiophen-2-yl)-2-(2,6-dichlorophenyl)propan-1-ol has a molecular weight of 336.67 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-chlorothiophen-2-yl)-2-(2,6-dichlorophenyl)propan-1-ol is sourced from PubChem (CID 80641792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).