3-amino-2-(2,4-dichlorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol

C14H15Cl2NOS — CID 79808679

IUPAC3-amino-2-(2,4-dichlorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol
SMILESCc1cscc1C(O)C(CN)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H15Cl2NOS/c1-8-6-19-7-12(8)14(18)11(5-17)10-3-2-9(15)4-13(10)16/h2-4,6-7,11,14,18H,5,17H2,1H3
InChIKeyRPXHKLUFJGWYIJ-UHFFFAOYSA-N
MW316.25 g/mol
LogP4.14
Rot. Bonds4

About 3-amino-2-(2,4-dichlorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol

3-amino-2-(2,4-dichlorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol (PubChem CID 79808679) has the molecular formula C14H15Cl2NOS and a molecular weight of 316.25 g/mol. Its IUPAC name is 3-amino-2-(2,4-dichlorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(2,4-dichlorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol
PubChem CID79808679
Molecular FormulaC14H15Cl2NOS
Molecular Weight316.25 g/mol
Exact Mass315.03
IUPAC Name3-amino-2-(2,4-dichlorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol
SMILESCc1cscc1C(O)C(CN)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H15Cl2NOS/c1-8-6-19-7-12(8)14(18)11(5-17)10-3-2-9(15)4-13(10)16/h2-4,6-7,11,14,18H,5,17H2,1H3
InChIKeyRPXHKLUFJGWYIJ-UHFFFAOYSA-N
XLogP4.14
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.25
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(2-chlorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol
CID 79807640
3-amino-2-(2,4-dichlorophenyl)-1-(2-methylphenyl)propan-1-ol
CID 65185357
3-amino-2-(2,4-dichlorophenyl)-1-(3-methylthiophen-2-yl)propan-1-ol
CID 65185608
3-amino-2-(2,4-dichlorophenyl)-1-(5-methylthiophen-2-yl)propan-1-ol
CID 65185355
3-amino-2-(2-chloro-4-fluorophenyl)-1-(2,4-dichlorophenyl)propan-1-ol
CID 65188062
3-amino-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)propan-1-ol
CID 65186212
3-amino-2-(2,4-dichlorophenyl)-1-(5-ethylfuran-2-yl)propan-1-ol
CID 79083794
3-amino-1-(2,4-dichlorophenyl)-2-pyridin-4-ylpropan-1-ol
CID 80525799
3-amino-2-(4-fluorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol
CID 79808376
3-amino-1-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol
CID 65189329
3-amino-1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)propan-1-ol
CID 65185321
3-amino-1-(4-methylthiophen-3-yl)-2-pyridin-2-ylpropan-1-ol
CID 80525924

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2,4-dichlorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol?
The IUPAC name of 3-amino-2-(2,4-dichlorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol (CID 79808679) is 3-amino-2-(2,4-dichlorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(2,4-dichlorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol?
The canonical SMILES for 3-amino-2-(2,4-dichlorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol is Cc1cscc1C(O)C(CN)c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-amino-2-(2,4-dichlorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol?
The InChIKey is RPXHKLUFJGWYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NOS/c1-8-6-19-7-12(8)14(18)11(5-17)10-3-2-9(15)4-13(10)16/h2-4,6-7,11,14,18H,5,17H2,1H3.
What are the key properties of 3-amino-2-(2,4-dichlorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol?
3-amino-2-(2,4-dichlorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol has a molecular weight of 316.25 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2,4-dichlorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol is sourced from PubChem (CID 79808679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).