N-[1-(3,4-dichlorophenyl)-2-phenylsulfanylethyl]propan-1-amine

C17H19Cl2NS — CID 65143250

IUPACN-[1-(3,4-dichlorophenyl)-2-phenylsulfanylethyl]propan-1-amine
SMILESCCCNC(CSc1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H19Cl2NS/c1-2-10-20-17(12-21-14-6-4-3-5-7-14)13-8-9-15(18)16(19)11-13/h3-9,11,17,20H,2,10,12H2,1H3
InChIKeyIYGPTDKGAYJDJB-UHFFFAOYSA-N
MW340.32 g/mol
LogP5.83
Rot. Bonds7

About N-[1-(3,4-dichlorophenyl)-2-phenylsulfanylethyl]propan-1-amine

N-[1-(3,4-dichlorophenyl)-2-phenylsulfanylethyl]propan-1-amine (PubChem CID 65143250) has the molecular formula C17H19Cl2NS and a molecular weight of 340.32 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)-2-phenylsulfanylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)-2-phenylsulfanylethyl]propan-1-amine
PubChem CID65143250
Molecular FormulaC17H19Cl2NS
Molecular Weight340.32 g/mol
Exact Mass339.06
IUPAC NameN-[1-(3,4-dichlorophenyl)-2-phenylsulfanylethyl]propan-1-amine
SMILESCCCNC(CSc1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H19Cl2NS/c1-2-10-20-17(12-21-14-6-4-3-5-7-14)13-8-9-15(18)16(19)11-13/h3-9,11,17,20H,2,10,12H2,1H3
InChIKeyIYGPTDKGAYJDJB-UHFFFAOYSA-N
XLogP5.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.32
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-phenylsulfanyl-1-pyrimidin-5-ylethyl)propan-1-amine
CID 65143673
N-[2-(3,4-dichlorophenyl)-1-phenylethyl]propan-1-amine
CID 63413061
1-(3,4-dichlorophenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 81492270
N-[1-(3-chlorophenyl)-2-(3-methylphenyl)sulfanylethyl]propan-1-amine
CID 66086625
N-[1-(furan-2-yl)-2-phenylsulfanylethyl]propan-1-amine
CID 65143764
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-phenylsulfanylethanamine
CID 105395026
N-[1-(3-chloro-4-iodophenyl)-2-phenylethyl]propan-1-amine
CID 103214524
2-(2-bromophenyl)sulfanyl-1-(3,4-dichlorophenyl)-N-ethylethanamine
CID 66143696
N-[1-(2-chlorophenyl)-2-(3-methylphenyl)sulfanylethyl]propan-1-amine
CID 66086433
2-(4-chlorophenyl)sulfanyl-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 66145138
N-[1-(3-chloro-4-methylphenyl)-2-phenylethyl]propan-1-amine
CID 63527074
N-[1-(3,4-dichlorophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 63414967

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)-2-phenylsulfanylethyl]propan-1-amine?
The IUPAC name of N-[1-(3,4-dichlorophenyl)-2-phenylsulfanylethyl]propan-1-amine (CID 65143250) is N-[1-(3,4-dichlorophenyl)-2-phenylsulfanylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)-2-phenylsulfanylethyl]propan-1-amine?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)-2-phenylsulfanylethyl]propan-1-amine is CCCNC(CSc1ccccc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)-2-phenylsulfanylethyl]propan-1-amine?
The InChIKey is IYGPTDKGAYJDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NS/c1-2-10-20-17(12-21-14-6-4-3-5-7-14)13-8-9-15(18)16(19)11-13/h3-9,11,17,20H,2,10,12H2,1H3.
What are the key properties of N-[1-(3,4-dichlorophenyl)-2-phenylsulfanylethyl]propan-1-amine?
N-[1-(3,4-dichlorophenyl)-2-phenylsulfanylethyl]propan-1-amine has a molecular weight of 340.32 g/mol, XLogP of 5.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)-2-phenylsulfanylethyl]propan-1-amine is sourced from PubChem (CID 65143250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).