1-(4-bromo-2-chlorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]ethanamine

C16H19BrClNS — CID 82774817

IUPAC1-(4-bromo-2-chlorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]ethanamine
SMILESCc1cc(C(C)NC(C)c2ccc(Br)cc2Cl)c(C)s1
InChIInChI=1S/C16H19BrClNS/c1-9-7-15(12(4)20-9)11(3)19-10(2)14-6-5-13(17)8-16(14)18/h5-8,10-11,19H,1-4H3
InChIKeyFNFTXSQZMSOSDT-UHFFFAOYSA-N
MW372.76 g/mol
LogP6.19
Rot. Bonds4

About 1-(4-bromo-2-chlorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]ethanamine

1-(4-bromo-2-chlorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]ethanamine (PubChem CID 82774817) has the molecular formula C16H19BrClNS and a molecular weight of 372.76 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]ethanamine
PubChem CID82774817
Molecular FormulaC16H19BrClNS
Molecular Weight372.76 g/mol
Exact Mass371.01
IUPAC Name1-(4-bromo-2-chlorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]ethanamine
SMILESCc1cc(C(C)NC(C)c2ccc(Br)cc2Cl)c(C)s1
InChIInChI=1S/C16H19BrClNS/c1-9-7-15(12(4)20-9)11(3)19-10(2)14-6-5-13(17)8-16(14)18/h5-8,10-11,19H,1-4H3
InChIKeyFNFTXSQZMSOSDT-UHFFFAOYSA-N
XLogP6.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.76
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-chlorophenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
CID 82773617
(4-bromo-2-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanol
CID 61088539
4-bromo-2,6-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline
CID 43126565
N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methylpentan-3-amine
CID 82774823
(1R)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-cyclohexylethanamine
CID 82773268
2,4-dibromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline
CID 43683002
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-2-amine
CID 43200633
2-[bromo-(4-bromo-2-chlorophenyl)methyl]-3,5-dimethylthiophene
CID 81158554
(1S)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine
CID 82773741
2-[1-(4-bromo-2-chlorophenyl)ethylamino]-3-methylbutanoic acid
CID 82773931
4-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-fluoroaniline
CID 43111824
1-(4-bromo-2-chlorophenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 82774634

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]ethanamine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]ethanamine (CID 82774817) is 1-(4-bromo-2-chlorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]ethanamine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]ethanamine is Cc1cc(C(C)NC(C)c2ccc(Br)cc2Cl)c(C)s1.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]ethanamine?
The InChIKey is FNFTXSQZMSOSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrClNS/c1-9-7-15(12(4)20-9)11(3)19-10(2)14-6-5-13(17)8-16(14)18/h5-8,10-11,19H,1-4H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]ethanamine?
1-(4-bromo-2-chlorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]ethanamine has a molecular weight of 372.76 g/mol, XLogP of 6.19, 4 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-[1-(2,5-dimethylthiophen-3-yl)ethyl]ethanamine is sourced from PubChem (CID 82774817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).