2-[1-(3,4-dichlorophenyl)propylamino]-1-thiophen-3-ylethanol

C15H17Cl2NOS — CID 103785268

IUPAC2-[1-(3,4-dichlorophenyl)propylamino]-1-thiophen-3-ylethanol
SMILESCCC(NCC(O)c1ccsc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H17Cl2NOS/c1-2-14(10-3-4-12(16)13(17)7-10)18-8-15(19)11-5-6-20-9-11/h3-7,9,14-15,18-19H,2,8H2,1H3
InChIKeyVXFGQCSIANKAJJ-UHFFFAOYSA-N
MW330.28 g/mol
LogP4.83
Rot. Bonds6

About 2-[1-(3,4-dichlorophenyl)propylamino]-1-thiophen-3-ylethanol

2-[1-(3,4-dichlorophenyl)propylamino]-1-thiophen-3-ylethanol (PubChem CID 103785268) has the molecular formula C15H17Cl2NOS and a molecular weight of 330.28 g/mol. Its IUPAC name is 2-[1-(3,4-dichlorophenyl)propylamino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[1-(3,4-dichlorophenyl)propylamino]-1-thiophen-3-ylethanol
PubChem CID103785268
Molecular FormulaC15H17Cl2NOS
Molecular Weight330.28 g/mol
Exact Mass329.04
IUPAC Name2-[1-(3,4-dichlorophenyl)propylamino]-1-thiophen-3-ylethanol
SMILESCCC(NCC(O)c1ccsc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H17Cl2NOS/c1-2-14(10-3-4-12(16)13(17)7-10)18-8-15(19)11-5-6-20-9-11/h3-7,9,14-15,18-19H,2,8H2,1H3
InChIKeyVXFGQCSIANKAJJ-UHFFFAOYSA-N
XLogP4.83
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.28
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-(3,4-dichlorophenyl)propylamino]-1-thiophen-3-ylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(4-ethylphenyl)propylamino]-1-thiophen-3-ylethanol
CID 103785307
(1R)-2-(3,4-dichlorophenyl)-3-(methylamino)-1-thiophen-3-ylpropan-1-ol
CID 134419988
N-[(3,4-dichlorophenyl)-thiophen-3-ylmethyl]ethanamine
CID 43492782
2-[1-(4-chloro-3-fluorophenyl)ethylamino]-1-thiophen-3-ylethanol
CID 103881398
2-[1-(5-fluoro-2-pyridinyl)propylamino]-1-thiophen-3-ylethanol
CID 103948424
1-N-[1-(3,4-dichlorophenyl)propyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913520
2-[1-(3,4-dichlorophenyl)propylamino]acetamide
CID 43754703
2-(3,4-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103686528
3-[1-(3,4-dichlorophenyl)propylamino]-2-methylpropanenitrile
CID 62647103
(E)-3-(3,4-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)prop-2-enamide
CID 103771659
1-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 43486460
2-[1-(3,4-dimethoxyphenyl)ethylamino]-1-thiophen-3-ylethanol
CID 103717090

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dichlorophenyl)propylamino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[1-(3,4-dichlorophenyl)propylamino]-1-thiophen-3-ylethanol (CID 103785268) is 2-[1-(3,4-dichlorophenyl)propylamino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[1-(3,4-dichlorophenyl)propylamino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[1-(3,4-dichlorophenyl)propylamino]-1-thiophen-3-ylethanol is CCC(NCC(O)c1ccsc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[1-(3,4-dichlorophenyl)propylamino]-1-thiophen-3-ylethanol?
The InChIKey is VXFGQCSIANKAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NOS/c1-2-14(10-3-4-12(16)13(17)7-10)18-8-15(19)11-5-6-20-9-11/h3-7,9,14-15,18-19H,2,8H2,1H3.
What are the key properties of 2-[1-(3,4-dichlorophenyl)propylamino]-1-thiophen-3-ylethanol?
2-[1-(3,4-dichlorophenyl)propylamino]-1-thiophen-3-ylethanol has a molecular weight of 330.28 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dichlorophenyl)propylamino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 103785268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).