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

C13H12Cl3NOS — CID 80641548

IUPAC3-amino-1-(3-chlorothiophen-2-yl)-2-(3,4-dichlorophenyl)propan-1-ol
SMILESNCC(c1ccc(Cl)c(Cl)c1)C(O)c1sccc1Cl
InChIInChI=1S/C13H12Cl3NOS/c14-9-2-1-7(5-11(9)16)8(6-17)12(18)13-10(15)3-4-19-13/h1-5,8,12,18H,6,17H2
InChIKeyDVOXAEBFPDJCJQ-UHFFFAOYSA-N
MW336.67 g/mol
LogP4.48
Rot. Bonds4

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

3-amino-1-(3-chlorothiophen-2-yl)-2-(3,4-dichlorophenyl)propan-1-ol (PubChem CID 80641548) 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-(3,4-dichlorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(3-chlorothiophen-2-yl)-2-(3,4-dichlorophenyl)propan-1-ol
PubChem CID80641548
Molecular FormulaC13H12Cl3NOS
Molecular Weight336.67 g/mol
Exact Mass334.97
IUPAC Name3-amino-1-(3-chlorothiophen-2-yl)-2-(3,4-dichlorophenyl)propan-1-ol
SMILESNCC(c1ccc(Cl)c(Cl)c1)C(O)c1sccc1Cl
InChIInChI=1S/C13H12Cl3NOS/c14-9-2-1-7(5-11(9)16)8(6-17)12(18)13-10(15)3-4-19-13/h1-5,8,12,18H,6,17H2
InChIKeyDVOXAEBFPDJCJQ-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-bromothiophen-2-yl)-2-(3,4-dichlorophenyl)propan-1-ol
CID 65189963
3-amino-1-(3-chlorothiophen-2-yl)-2-(3-methylphenyl)propan-1-ol
CID 80642172
3-amino-1-(3-chlorothiophen-2-yl)-2-(2,6-dichlorophenyl)propan-1-ol
CID 80641792
3-amino-1-(3-chloro-4-fluorophenyl)-2-(3,4-dichlorophenyl)propan-1-ol
CID 82876687
3-amino-1-(2,5-dichlorophenyl)-2-(3,4-dichlorophenyl)propan-1-ol
CID 65190626
3-amino-2-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)propan-1-ol
CID 65190424
3-amino-2-(3,4-dichlorophenyl)-1-(3,4-difluorophenyl)propan-1-ol
CID 65190263
3-amino-2-(3,4-dichlorophenyl)-1-(2-methylphenyl)propan-1-ol
CID 65190727
3-amino-2-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)propan-1-ol
CID 65190367
1-amino-2-(3,4-dichlorophenyl)-4,5-dimethylhexan-3-ol
CID 65190573
2-(aminomethyl)-1-(3-chlorothiophen-2-yl)-3-methylbutan-1-ol
CID 80642659
3-amino-2-(4-methylphenyl)-1-(3-methylthiophen-2-yl)propan-1-ol
CID 65187789

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-chlorothiophen-2-yl)-2-(3,4-dichlorophenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(3-chlorothiophen-2-yl)-2-(3,4-dichlorophenyl)propan-1-ol (CID 80641548) is 3-amino-1-(3-chlorothiophen-2-yl)-2-(3,4-dichlorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(3-chlorothiophen-2-yl)-2-(3,4-dichlorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(3-chlorothiophen-2-yl)-2-(3,4-dichlorophenyl)propan-1-ol is NCC(c1ccc(Cl)c(Cl)c1)C(O)c1sccc1Cl.
What is the InChIKey of 3-amino-1-(3-chlorothiophen-2-yl)-2-(3,4-dichlorophenyl)propan-1-ol?
The InChIKey is DVOXAEBFPDJCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl3NOS/c14-9-2-1-7(5-11(9)16)8(6-17)12(18)13-10(15)3-4-19-13/h1-5,8,12,18H,6,17H2.
What are the key properties of 3-amino-1-(3-chlorothiophen-2-yl)-2-(3,4-dichlorophenyl)propan-1-ol?
3-amino-1-(3-chlorothiophen-2-yl)-2-(3,4-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-(3,4-dichlorophenyl)propan-1-ol is sourced from PubChem (CID 80641548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).