2-(2-bromophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine

C15H18BrNS — CID 115787080

IUPAC2-(2-bromophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine
SMILESCCc1ccsc1C(Cc1ccccc1Br)NC
InChIInChI=1S/C15H18BrNS/c1-3-11-8-9-18-15(11)14(17-2)10-12-6-4-5-7-13(12)16/h4-9,14,17H,3,10H2,1-2H3
InChIKeyKHYQFDBZTQBFMC-UHFFFAOYSA-N
MW324.29 g/mol
LogP4.58
Rot. Bonds5

About 2-(2-bromophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine

2-(2-bromophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine (PubChem CID 115787080) has the molecular formula C15H18BrNS and a molecular weight of 324.29 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine
PubChem CID115787080
Molecular FormulaC15H18BrNS
Molecular Weight324.29 g/mol
Exact Mass323.03
IUPAC Name2-(2-bromophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine
SMILESCCc1ccsc1C(Cc1ccccc1Br)NC
InChIInChI=1S/C15H18BrNS/c1-3-11-8-9-18-15(11)14(17-2)10-12-6-4-5-7-13(12)16/h4-9,14,17H,3,10H2,1-2H3
InChIKeyKHYQFDBZTQBFMC-UHFFFAOYSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-bromophenyl)-1-(3-ethylthiophen-2-yl)ethyl]hydrazine
CID 105283872
2-(2-bromophenyl)-N-methyl-1-thiophen-2-ylethanamine
CID 60818795
2-(4-bromo-2-chlorophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine
CID 105037791
1-(3-ethylthiophen-2-yl)-N-methyl-2-quinolin-4-ylethanamine
CID 104997344
1-(3-ethylthiophen-2-yl)-N,3-dimethylbutan-1-amine
CID 115782273
1-(3-bromothiophen-2-yl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 55239918
2-(2-bromophenyl)-N-methyl-1-phenylethanamine
CID 60820242
[2-(2-bromophenyl)-1-(3-methylthiophen-2-yl)ethyl]hydrazine
CID 105214945
1-(3-ethylthiophen-2-yl)-N-methylhexan-1-amine
CID 115837220
1-(3-ethylthiophen-2-yl)-N-methyl-3-methylsulfonylpropan-1-amine
CID 115848297
1-(3-ethylthiophen-2-yl)-N,4,4-trimethylpentan-1-amine
CID 115849879
2-(2-bromophenyl)-N-methyl-1-(5-methylthiophen-3-yl)ethanamine
CID 65105091

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine?
The IUPAC name of 2-(2-bromophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine (CID 115787080) is 2-(2-bromophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(2-bromophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine is CCc1ccsc1C(Cc1ccccc1Br)NC.
What is the InChIKey of 2-(2-bromophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine?
The InChIKey is KHYQFDBZTQBFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNS/c1-3-11-8-9-18-15(11)14(17-2)10-12-6-4-5-7-13(12)16/h4-9,14,17H,3,10H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine?
2-(2-bromophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine has a molecular weight of 324.29 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine is sourced from PubChem (CID 115787080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).