N-[1-(5-chloro-4-methylthiophen-2-yl)-2-(4-chlorophenyl)ethyl]propan-1-amine

C16H19Cl2NS — CID 102764061

IUPACN-[1-(5-chloro-4-methylthiophen-2-yl)-2-(4-chlorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)cc1)c1cc(C)c(Cl)s1
InChIInChI=1S/C16H19Cl2NS/c1-3-8-19-14(15-9-11(2)16(18)20-15)10-12-4-6-13(17)7-5-12/h4-7,9,14,19H,3,8,10H2,1-2H3
InChIKeyXPAQQROPTTVHHK-UHFFFAOYSA-N
MW328.31 g/mol
LogP5.65
Rot. Bonds6

About N-[1-(5-chloro-4-methylthiophen-2-yl)-2-(4-chlorophenyl)ethyl]propan-1-amine

N-[1-(5-chloro-4-methylthiophen-2-yl)-2-(4-chlorophenyl)ethyl]propan-1-amine (PubChem CID 102764061) has the molecular formula C16H19Cl2NS and a molecular weight of 328.31 g/mol. Its IUPAC name is N-[1-(5-chloro-4-methylthiophen-2-yl)-2-(4-chlorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(5-chloro-4-methylthiophen-2-yl)-2-(4-chlorophenyl)ethyl]propan-1-amine
PubChem CID102764061
Molecular FormulaC16H19Cl2NS
Molecular Weight328.31 g/mol
Exact Mass327.06
IUPAC NameN-[1-(5-chloro-4-methylthiophen-2-yl)-2-(4-chlorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)cc1)c1cc(C)c(Cl)s1
InChIInChI=1S/C16H19Cl2NS/c1-3-8-19-14(15-9-11(2)16(18)20-15)10-12-4-6-13(17)7-5-12/h4-7,9,14,19H,3,8,10H2,1-2H3
InChIKeyXPAQQROPTTVHHK-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

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Related Compounds

N-[1-(4-bromo-5-chlorothiophen-2-yl)-2-(3,4-dimethylphenyl)ethyl]propan-1-amine
CID 102828787
1-(5-chloro-4-methylthiophen-2-yl)-2-(4-chlorophenyl)ethanol
CID 102764589
N-[1-(5-bromo-4-methylthiophen-2-yl)-2-(4-chloro-3-fluorophenyl)ethyl]propan-1-amine
CID 107892569
N-[1-(5-bromo-4-chlorothiophen-2-yl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 80532155
N-[2-(3-bromo-4-fluorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethyl]propan-1-amine
CID 115818291
N-[1-(5-chloro-4-methylthiophen-2-yl)ethyl]propan-1-amine
CID 102764194
N-[1-(5-chloro-2-fluorophenyl)-2-(4-chlorophenyl)ethyl]propan-1-amine
CID 63527400
N-[1-(5-bromo-4-methylthiophen-2-yl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine
CID 103053247
N-[1-(5-chloro-2-methylphenyl)-2-(4-iodophenyl)ethyl]propan-1-amine
CID 115863998
N-[(5-chloro-4-methylthiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 102764112
1-(5-chloro-4-methylthiophen-2-yl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine
CID 103207998
N-[1-(4-bromo-5-chlorothiophen-2-yl)-2-(2,5-dimethylphenyl)ethyl]propan-1-amine
CID 102828833

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloro-4-methylthiophen-2-yl)-2-(4-chlorophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(5-chloro-4-methylthiophen-2-yl)-2-(4-chlorophenyl)ethyl]propan-1-amine (CID 102764061) is N-[1-(5-chloro-4-methylthiophen-2-yl)-2-(4-chlorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(5-chloro-4-methylthiophen-2-yl)-2-(4-chlorophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(5-chloro-4-methylthiophen-2-yl)-2-(4-chlorophenyl)ethyl]propan-1-amine is CCCNC(Cc1ccc(Cl)cc1)c1cc(C)c(Cl)s1.
What is the InChIKey of N-[1-(5-chloro-4-methylthiophen-2-yl)-2-(4-chlorophenyl)ethyl]propan-1-amine?
The InChIKey is XPAQQROPTTVHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2NS/c1-3-8-19-14(15-9-11(2)16(18)20-15)10-12-4-6-13(17)7-5-12/h4-7,9,14,19H,3,8,10H2,1-2H3.
What are the key properties of N-[1-(5-chloro-4-methylthiophen-2-yl)-2-(4-chlorophenyl)ethyl]propan-1-amine?
N-[1-(5-chloro-4-methylthiophen-2-yl)-2-(4-chlorophenyl)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-[1-(5-chloro-4-methylthiophen-2-yl)-2-(4-chlorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 102764061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).