2-(4-bromo-2-chlorophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine

C15H17BrClNS — CID 105037791

IUPAC2-(4-bromo-2-chlorophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine
SMILESCCc1ccsc1C(Cc1ccc(Br)cc1Cl)NC
InChIInChI=1S/C15H17BrClNS/c1-3-10-6-7-19-15(10)14(18-2)8-11-4-5-12(16)9-13(11)17/h4-7,9,14,18H,3,8H2,1-2H3
InChIKeyNVSJDIFQUHXXOJ-UHFFFAOYSA-N
MW358.73 g/mol
LogP5.23
Rot. Bonds5

About 2-(4-bromo-2-chlorophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine

2-(4-bromo-2-chlorophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine (PubChem CID 105037791) has the molecular formula C15H17BrClNS and a molecular weight of 358.73 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine
PubChem CID105037791
Molecular FormulaC15H17BrClNS
Molecular Weight358.73 g/mol
Exact Mass357.00
IUPAC Name2-(4-bromo-2-chlorophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine
SMILESCCc1ccsc1C(Cc1ccc(Br)cc1Cl)NC
InChIInChI=1S/C15H17BrClNS/c1-3-10-6-7-19-15(10)14(18-2)8-11-4-5-12(16)9-13(11)17/h4-7,9,14,18H,3,8H2,1-2H3
InChIKeyNVSJDIFQUHXXOJ-UHFFFAOYSA-N
XLogP5.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.73
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-chlorophenyl)-N-methyl-1-thiophen-2-ylethanamine
CID 113471238
2-(2-chloro-4-methylphenyl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine
CID 106867922
2-(4-bromo-2-chlorophenyl)-1-(2-ethylphenyl)-N-methylethanamine
CID 105038060
N-[2-(4-bromo-2-chlorophenyl)-1-(3-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 105037954
2-(2-bromophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine
CID 115787080
2-(4-bromo-2-chlorophenyl)-1-(3,5-dichlorophenyl)-N-methylethanamine
CID 105037983
2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 105037649
2-(4-bromo-2-chlorophenyl)-1-(3-bromothiophen-2-yl)ethanamine
CID 105038039
1-(3-ethylthiophen-2-yl)-N,3-dimethylbutan-1-amine
CID 115782273
1-(3-ethylthiophen-2-yl)-N-methylhexan-1-amine
CID 115837220
2-(2-chloro-4-methylphenyl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 107947153
2-(4-bromo-2-chlorophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 105037879

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine (CID 105037791) is 2-(4-bromo-2-chlorophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine is CCc1ccsc1C(Cc1ccc(Br)cc1Cl)NC.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine?
The InChIKey is NVSJDIFQUHXXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClNS/c1-3-10-6-7-19-15(10)14(18-2)8-11-4-5-12(16)9-13(11)17/h4-7,9,14,18H,3,8H2,1-2H3.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine?
2-(4-bromo-2-chlorophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine has a molecular weight of 358.73 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine is sourced from PubChem (CID 105037791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).