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

C15H18BrNS — CID 113460855

IUPAC1-(3-bromo-5-methylphenyl)-N-ethyl-2-thiophen-2-ylethanamine
SMILESCCNC(Cc1cccs1)c1cc(C)cc(Br)c1
InChIInChI=1S/C15H18BrNS/c1-3-17-15(10-14-5-4-6-18-14)12-7-11(2)8-13(16)9-12/h4-9,15,17H,3,10H2,1-2H3
InChIKeyYYQMMVBEOMTPIH-UHFFFAOYSA-N
MW324.29 g/mol
LogP4.71
Rot. Bonds5

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

1-(3-bromo-5-methylphenyl)-N-ethyl-2-thiophen-2-ylethanamine (PubChem CID 113460855) has the molecular formula C15H18BrNS and a molecular weight of 324.29 g/mol. Its IUPAC name is 1-(3-bromo-5-methylphenyl)-N-ethyl-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-methylphenyl)-N-ethyl-2-thiophen-2-ylethanamine
PubChem CID113460855
Molecular FormulaC15H18BrNS
Molecular Weight324.29 g/mol
Exact Mass323.03
IUPAC Name1-(3-bromo-5-methylphenyl)-N-ethyl-2-thiophen-2-ylethanamine
SMILESCCNC(Cc1cccs1)c1cc(C)cc(Br)c1
InChIInChI=1S/C15H18BrNS/c1-3-17-15(10-14-5-4-6-18-14)12-7-11(2)8-13(16)9-12/h4-9,15,17H,3,10H2,1-2H3
InChIKeyYYQMMVBEOMTPIH-UHFFFAOYSA-N
XLogP4.71
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 ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-methylphenyl)-N-ethyl-2-(5-ethylthiophen-2-yl)ethanamine
CID 115842312
1-(3-bromo-5-methylphenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
CID 105030297
N-[1-(3-bromo-5-chlorophenyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 107945448
1-(3-bromo-4-fluorophenyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 82809918
1-(3-chloro-4-methylphenyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 63195285
N-ethyl-1,2-dithiophen-2-ylethanamine
CID 43755169
1-(2,5-dimethylphenyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 61064099
N-ethyl-1-pyrimidin-5-yl-2-thiophen-2-ylethanamine
CID 62501356
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-thiophen-2-ylethanamine
CID 106680519
N-ethyl-1-(1-ethylpyrazol-4-yl)-2-thiophen-2-ylethanamine
CID 62502018
N-ethyl-1-pyridin-3-yl-2-thiophen-2-ylethanamine
CID 61064807
1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethyl-2-thiophen-2-ylethanamine
CID 63743167

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylphenyl)-N-ethyl-2-thiophen-2-ylethanamine?
The IUPAC name of 1-(3-bromo-5-methylphenyl)-N-ethyl-2-thiophen-2-ylethanamine (CID 113460855) is 1-(3-bromo-5-methylphenyl)-N-ethyl-2-thiophen-2-ylethanamine.
What is the SMILES notation for 1-(3-bromo-5-methylphenyl)-N-ethyl-2-thiophen-2-ylethanamine?
The canonical SMILES for 1-(3-bromo-5-methylphenyl)-N-ethyl-2-thiophen-2-ylethanamine is CCNC(Cc1cccs1)c1cc(C)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-methylphenyl)-N-ethyl-2-thiophen-2-ylethanamine?
The InChIKey is YYQMMVBEOMTPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNS/c1-3-17-15(10-14-5-4-6-18-14)12-7-11(2)8-13(16)9-12/h4-9,15,17H,3,10H2,1-2H3.
What are the key properties of 1-(3-bromo-5-methylphenyl)-N-ethyl-2-thiophen-2-ylethanamine?
1-(3-bromo-5-methylphenyl)-N-ethyl-2-thiophen-2-ylethanamine has a molecular weight of 324.29 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methylphenyl)-N-ethyl-2-thiophen-2-ylethanamine is sourced from PubChem (CID 113460855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).