1-(4-bromo-2-chlorophenyl)-N-(2-thiophen-3-ylethyl)ethanamine

C14H15BrClNS — CID 82773429

IUPAC1-(4-bromo-2-chlorophenyl)-N-(2-thiophen-3-ylethyl)ethanamine
SMILESCC(NCCc1ccsc1)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H15BrClNS/c1-10(13-3-2-12(15)8-14(13)16)17-6-4-11-5-7-18-9-11/h2-3,5,7-10,17H,4,6H2,1H3
InChIKeyATMBSUVCWADVSC-UHFFFAOYSA-N
MW344.71 g/mol
LogP5.06
Rot. Bonds5

About 1-(4-bromo-2-chlorophenyl)-N-(2-thiophen-3-ylethyl)ethanamine

1-(4-bromo-2-chlorophenyl)-N-(2-thiophen-3-ylethyl)ethanamine (PubChem CID 82773429) has the molecular formula C14H15BrClNS and a molecular weight of 344.71 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-N-(2-thiophen-3-ylethyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-N-(2-thiophen-3-ylethyl)ethanamine
PubChem CID82773429
Molecular FormulaC14H15BrClNS
Molecular Weight344.71 g/mol
Exact Mass342.98
IUPAC Name1-(4-bromo-2-chlorophenyl)-N-(2-thiophen-3-ylethyl)ethanamine
SMILESCC(NCCc1ccsc1)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H15BrClNS/c1-10(13-3-2-12(15)8-14(13)16)17-6-4-11-5-7-18-9-11/h2-3,5,7-10,17H,4,6H2,1H3
InChIKeyATMBSUVCWADVSC-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-(4-bromo-2-chlorophenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 82773330
N-[1-[4-bromo-2-(2-thiophen-3-ylethoxy)phenyl]ethyl]propan-1-amine
CID 102947829
1-(4-bromo-2-chlorophenyl)-N-(2-methylsulfonylethyl)ethanamine
CID 82773613
(1R)-1-(2-methylphenyl)-N-(2-thiophen-3-ylethyl)ethanamine
CID 81375407
N-[1-(4-bromo-2-chlorophenyl)ethyl]-7-methyloctan-1-amine
CID 82773597
N-[2-[1-(4-bromo-2-chlorophenyl)ethylamino]ethyl]methanesulfonamide
CID 82773914
1-(3-bromothiophen-2-yl)-N-(2-thiophen-3-ylethyl)ethanamine
CID 61474936
1-(5-bromo-2-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 115857164
N-[1-(4-bromo-2-chlorophenyl)ethyl]-4,4,4-trifluorobutan-1-amine
CID 82774647
1-(3-bromo-4-fluorophenyl)-N-(2-thiophen-3-ylethyl)ethanamine
CID 54952781
2-[1-(2-thiophen-3-ylethylamino)ethyl]naphthalen-1-ol
CID 61474992
4-[1-(2-thiophen-3-ylethylamino)ethyl]phenol
CID 54953254

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-(2-thiophen-3-ylethyl)ethanamine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-(2-thiophen-3-ylethyl)ethanamine (CID 82773429) is 1-(4-bromo-2-chlorophenyl)-N-(2-thiophen-3-ylethyl)ethanamine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-N-(2-thiophen-3-ylethyl)ethanamine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-N-(2-thiophen-3-ylethyl)ethanamine is CC(NCCc1ccsc1)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-N-(2-thiophen-3-ylethyl)ethanamine?
The InChIKey is ATMBSUVCWADVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNS/c1-10(13-3-2-12(15)8-14(13)16)17-6-4-11-5-7-18-9-11/h2-3,5,7-10,17H,4,6H2,1H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-N-(2-thiophen-3-ylethyl)ethanamine?
1-(4-bromo-2-chlorophenyl)-N-(2-thiophen-3-ylethyl)ethanamine 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-(4-bromo-2-chlorophenyl)-N-(2-thiophen-3-ylethyl)ethanamine is sourced from PubChem (CID 82773429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).