1-(3,5-dichlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine

C15H17Cl2NS — CID 115860979

IUPAC1-(3,5-dichlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
SMILESCCNC(CCc1cccs1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H17Cl2NS/c1-2-18-15(6-5-14-4-3-7-19-14)11-8-12(16)10-13(17)9-11/h3-4,7-10,15,18H,2,5-6H2,1H3
InChIKeyYBUPZOWBKNKKDO-UHFFFAOYSA-N
MW314.28 g/mol
LogP5.34
Rot. Bonds6

About 1-(3,5-dichlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine

1-(3,5-dichlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine (PubChem CID 115860979) has the molecular formula C15H17Cl2NS and a molecular weight of 314.28 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
PubChem CID115860979
Molecular FormulaC15H17Cl2NS
Molecular Weight314.28 g/mol
Exact Mass313.05
IUPAC Name1-(3,5-dichlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
SMILESCCNC(CCc1cccs1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H17Cl2NS/c1-2-18-15(6-5-14-4-3-7-19-14)11-8-12(16)10-13(17)9-11/h3-4,7-10,15,18H,2,5-6H2,1H3
InChIKeyYBUPZOWBKNKKDO-UHFFFAOYSA-N
XLogP5.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.28
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 63775555
1-(2,4-dichlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860970
N-ethyl-3-thiophen-2-yl-1-thiophen-3-ylpropan-1-amine
CID 63773695
N-ethyl-1-(3-fluorophenyl)-3-thiophen-2-ylpropan-1-amine
CID 63775928
1-(2,5-dichlorothiophen-3-yl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 107968303
N-ethyl-1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-amine
CID 63774226
1-[4-(difluoromethoxy)phenyl]-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860987
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860962
N-ethyl-1-(3-fluoro-4-methoxyphenyl)-3-thiophen-2-ylpropan-1-amine
CID 115860982
1-(3-chloro-4-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115860699
1-(2,5-dibromophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115861015
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860877

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of 1-(3,5-dichlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine (CID 115860979) is 1-(3,5-dichlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 1-(3,5-dichlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine is CCNC(CCc1cccs1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine?
The InChIKey is YBUPZOWBKNKKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NS/c1-2-18-15(6-5-14-4-3-7-19-14)11-8-12(16)10-13(17)9-11/h3-4,7-10,15,18H,2,5-6H2,1H3.
What are the key properties of 1-(3,5-dichlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine?
1-(3,5-dichlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine has a molecular weight of 314.28 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 115860979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).