1-(5-bromo-2-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine

C15H17BrClNS — CID 115857164

IUPAC1-(5-bromo-2-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
SMILESCCNC(CCc1ccsc1)c1cc(Br)ccc1Cl
InChIInChI=1S/C15H17BrClNS/c1-2-18-15(6-3-11-7-8-19-10-11)13-9-12(16)4-5-14(13)17/h4-5,7-10,15,18H,2-3,6H2,1H3
InChIKeyFFVRLMFKIPFVDE-UHFFFAOYSA-N
MW358.73 g/mol
LogP5.45
Rot. Bonds6

About 1-(5-bromo-2-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine

1-(5-bromo-2-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine (PubChem CID 115857164) has the molecular formula C15H17BrClNS and a molecular weight of 358.73 g/mol. Its IUPAC name is 1-(5-bromo-2-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
PubChem CID115857164
Molecular FormulaC15H17BrClNS
Molecular Weight358.73 g/mol
Exact Mass357.00
IUPAC Name1-(5-bromo-2-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
SMILESCCNC(CCc1ccsc1)c1cc(Br)ccc1Cl
InChIInChI=1S/C15H17BrClNS/c1-2-18-15(6-3-11-7-8-19-10-11)13-9-12(16)4-5-14(13)17/h4-5,7-10,15,18H,2-3,6H2,1H3
InChIKeyFFVRLMFKIPFVDE-UHFFFAOYSA-N
XLogP5.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.73
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-fluorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 114894917
1-(2,3-dichlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 115857101
1-(5-bromo-2-chlorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 61077843
1-(5-bromo-2-chlorophenyl)-N-ethyl-4-methylpentan-1-amine
CID 115834587
1-(5-bromo-2-chlorophenyl)-N-ethyloctan-1-amine
CID 115832368
1-(2,4-dimethylphenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 115857169
[1-(2,5-dichlorophenyl)-3-thiophen-3-ylpropyl]hydrazine
CID 105306748
1-(3-bromothiophen-2-yl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 115857053
1-(3,4-dichlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 81491853
1-(3-bromo-5-chlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 107945833
1-(3-chloro-2-pyridinyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 103444550
1-(4-bromo-2-chlorophenyl)-N-(2-thiophen-3-ylethyl)ethanamine
CID 82773429

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine?
The IUPAC name of 1-(5-bromo-2-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine (CID 115857164) is 1-(5-bromo-2-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for 1-(5-bromo-2-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine?
The canonical SMILES for 1-(5-bromo-2-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine is CCNC(CCc1ccsc1)c1cc(Br)ccc1Cl.
What is the InChIKey of 1-(5-bromo-2-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine?
The InChIKey is FFVRLMFKIPFVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClNS/c1-2-18-15(6-3-11-7-8-19-10-11)13-9-12(16)4-5-14(13)17/h4-5,7-10,15,18H,2-3,6H2,1H3.
What are the key properties of 1-(5-bromo-2-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine?
1-(5-bromo-2-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine has a molecular weight of 358.73 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 115857164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).