N-[2-(3,4-dichlorophenyl)-1-(4-methylthiophen-3-yl)ethyl]propan-1-amine

C16H19Cl2NS — CID 79808186

IUPACN-[2-(3,4-dichlorophenyl)-1-(4-methylthiophen-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)c(Cl)c1)c1cscc1C
InChIInChI=1S/C16H19Cl2NS/c1-3-6-19-16(13-10-20-9-11(13)2)8-12-4-5-14(17)15(18)7-12/h4-5,7,9-10,16,19H,3,6,8H2,1-2H3
InChIKeyANJBEKXRZRHUEN-UHFFFAOYSA-N
MW328.31 g/mol
LogP5.65
Rot. Bonds6

About N-[2-(3,4-dichlorophenyl)-1-(4-methylthiophen-3-yl)ethyl]propan-1-amine

N-[2-(3,4-dichlorophenyl)-1-(4-methylthiophen-3-yl)ethyl]propan-1-amine (PubChem CID 79808186) has the molecular formula C16H19Cl2NS and a molecular weight of 328.31 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)-1-(4-methylthiophen-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)-1-(4-methylthiophen-3-yl)ethyl]propan-1-amine
PubChem CID79808186
Molecular FormulaC16H19Cl2NS
Molecular Weight328.31 g/mol
Exact Mass327.06
IUPAC NameN-[2-(3,4-dichlorophenyl)-1-(4-methylthiophen-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)c(Cl)c1)c1cscc1C
InChIInChI=1S/C16H19Cl2NS/c1-3-6-19-16(13-10-20-9-11(13)2)8-12-4-5-14(17)15(18)7-12/h4-5,7,9-10,16,19H,3,6,8H2,1-2H3
InChIKeyANJBEKXRZRHUEN-UHFFFAOYSA-N
XLogP5.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.31
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(3,4-dichlorophenyl)-1-(4-methylthiophen-3-yl)ethyl]propan-1-amine 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

N-[2-(3,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105136518
N-[1-(4-bromothiophen-3-yl)-2-(3,4-dimethylphenyl)ethyl]propan-1-amine
CID 79596087
2-(3,4-dichlorophenyl)-1-(4-methylthiophen-3-yl)ethanamine
CID 79807982
N-[2-(3,4-dichlorophenyl)-1-phenylethyl]propan-1-amine
CID 63413061
1-(5-bromo-2-methylphenyl)-2-(3,4-dichlorophenyl)-N-ethylethanamine
CID 65306974
N-[2-(3,4-dichlorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine
CID 114821315
N-[2-(3,4-dichlorophenyl)-1-(3-iodophenyl)ethyl]propan-1-amine
CID 63528164
2-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63415582
N-[2-(3,4-dichlorophenyl)-1-pyridazin-4-ylethyl]propan-1-amine
CID 105136520
N-[1-(3-chloro-4-methylthiophen-2-yl)-2-(3,4-dimethylphenyl)ethyl]propan-1-amine
CID 103402410
N-[2-(4-chloro-3-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine
CID 107969557
N-[1-(5-bromo-4-methylthiophen-2-yl)-2-(4-chloro-3-fluorophenyl)ethyl]propan-1-amine
CID 107892569

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)-1-(4-methylthiophen-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3,4-dichlorophenyl)-1-(4-methylthiophen-3-yl)ethyl]propan-1-amine (CID 79808186) is N-[2-(3,4-dichlorophenyl)-1-(4-methylthiophen-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)-1-(4-methylthiophen-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)-1-(4-methylthiophen-3-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(Cl)c(Cl)c1)c1cscc1C.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)-1-(4-methylthiophen-3-yl)ethyl]propan-1-amine?
The InChIKey is ANJBEKXRZRHUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2NS/c1-3-6-19-16(13-10-20-9-11(13)2)8-12-4-5-14(17)15(18)7-12/h4-5,7,9-10,16,19H,3,6,8H2,1-2H3.
What are the key properties of N-[2-(3,4-dichlorophenyl)-1-(4-methylthiophen-3-yl)ethyl]propan-1-amine?
N-[2-(3,4-dichlorophenyl)-1-(4-methylthiophen-3-yl)ethyl]propan-1-amine has a molecular weight of 328.31 g/mol, XLogP of 5.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)-1-(4-methylthiophen-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 79808186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).