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

C14H15BrClNS — CID 114027019

IUPAC1-(2-bromo-5-chlorophenyl)-N-ethyl-2-thiophen-3-ylethanamine
SMILESCCNC(Cc1ccsc1)c1cc(Cl)ccc1Br
InChIInChI=1S/C14H15BrClNS/c1-2-17-14(7-10-5-6-18-9-10)12-8-11(16)3-4-13(12)15/h3-6,8-9,14,17H,2,7H2,1H3
InChIKeyWLCMOHYRIQZVEF-UHFFFAOYSA-N
MW344.71 g/mol
LogP5.06
Rot. Bonds5

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

1-(2-bromo-5-chlorophenyl)-N-ethyl-2-thiophen-3-ylethanamine (PubChem CID 114027019) has the molecular formula C14H15BrClNS and a molecular weight of 344.71 g/mol. Its IUPAC name is 1-(2-bromo-5-chlorophenyl)-N-ethyl-2-thiophen-3-ylethanamine.

Molecular Properties

Compound Name1-(2-bromo-5-chlorophenyl)-N-ethyl-2-thiophen-3-ylethanamine
PubChem CID114027019
Molecular FormulaC14H15BrClNS
Molecular Weight344.71 g/mol
Exact Mass342.98
IUPAC Name1-(2-bromo-5-chlorophenyl)-N-ethyl-2-thiophen-3-ylethanamine
SMILESCCNC(Cc1ccsc1)c1cc(Cl)ccc1Br
InChIInChI=1S/C14H15BrClNS/c1-2-17-14(7-10-5-6-18-9-10)12-8-11(16)3-4-13(12)15/h3-6,8-9,14,17H,2,7H2,1H3
InChIKeyWLCMOHYRIQZVEF-UHFFFAOYSA-N
XLogP5.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.71
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-fluorophenyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 61078384
1-(2-bromo-5-iodophenyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 114027020
1-(2-bromo-5-chlorophenyl)-N,3-diethylpentan-1-amine
CID 114027172
N-ethyl-1-(2-iodophenyl)-2-thiophen-3-ylethanamine
CID 61078733
1-(2,5-dibromophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine
CID 115863189
1-(3-chloro-4-methylphenyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 55162373
1-(2-bromo-5-chlorophenyl)-3-thiophen-3-ylpropan-1-amine
CID 114027060
1-(2-bromophenyl)-2-(3-chlorophenyl)-N-ethylethanamine
CID 63414830
1-(3-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine
CID 55095489
1-(6-bromonaphthalen-2-yl)-N-ethyl-2-thiophen-3-ylethanamine
CID 115354103
N-ethyl-1-(3-fluorophenyl)-2-thiophen-3-ylethanamine
CID 61078915
1-[5-chloro-2-(thiophen-3-ylmethoxy)phenyl]-N-ethylethanamine
CID 55031304

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-chlorophenyl)-N-ethyl-2-thiophen-3-ylethanamine?
The IUPAC name of 1-(2-bromo-5-chlorophenyl)-N-ethyl-2-thiophen-3-ylethanamine (CID 114027019) is 1-(2-bromo-5-chlorophenyl)-N-ethyl-2-thiophen-3-ylethanamine.
What is the SMILES notation for 1-(2-bromo-5-chlorophenyl)-N-ethyl-2-thiophen-3-ylethanamine?
The canonical SMILES for 1-(2-bromo-5-chlorophenyl)-N-ethyl-2-thiophen-3-ylethanamine is CCNC(Cc1ccsc1)c1cc(Cl)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-chlorophenyl)-N-ethyl-2-thiophen-3-ylethanamine?
The InChIKey is WLCMOHYRIQZVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNS/c1-2-17-14(7-10-5-6-18-9-10)12-8-11(16)3-4-13(12)15/h3-6,8-9,14,17H,2,7H2,1H3.
What are the key properties of 1-(2-bromo-5-chlorophenyl)-N-ethyl-2-thiophen-3-ylethanamine?
1-(2-bromo-5-chlorophenyl)-N-ethyl-2-thiophen-3-ylethanamine has a molecular weight of 344.71 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-chlorophenyl)-N-ethyl-2-thiophen-3-ylethanamine is sourced from PubChem (CID 114027019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).