1-(3-bromo-5-methylphenyl)-N-ethyl-2-(5-ethylthiophen-2-yl)ethanamine

C17H22BrNS — CID 115842312

IUPAC1-(3-bromo-5-methylphenyl)-N-ethyl-2-(5-ethylthiophen-2-yl)ethanamine
SMILESCCNC(Cc1ccc(CC)s1)c1cc(C)cc(Br)c1
InChIInChI=1S/C17H22BrNS/c1-4-15-6-7-16(20-15)11-17(19-5-2)13-8-12(3)9-14(18)10-13/h6-10,17,19H,4-5,11H2,1-3H3
InChIKeyIVWLVZNALLNVNS-UHFFFAOYSA-N
MW352.34 g/mol
LogP5.27
Rot. Bonds6

About 1-(3-bromo-5-methylphenyl)-N-ethyl-2-(5-ethylthiophen-2-yl)ethanamine

1-(3-bromo-5-methylphenyl)-N-ethyl-2-(5-ethylthiophen-2-yl)ethanamine (PubChem CID 115842312) has the molecular formula C17H22BrNS and a molecular weight of 352.34 g/mol. Its IUPAC name is 1-(3-bromo-5-methylphenyl)-N-ethyl-2-(5-ethylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-methylphenyl)-N-ethyl-2-(5-ethylthiophen-2-yl)ethanamine
PubChem CID115842312
Molecular FormulaC17H22BrNS
Molecular Weight352.34 g/mol
Exact Mass351.07
IUPAC Name1-(3-bromo-5-methylphenyl)-N-ethyl-2-(5-ethylthiophen-2-yl)ethanamine
SMILESCCNC(Cc1ccc(CC)s1)c1cc(C)cc(Br)c1
InChIInChI=1S/C17H22BrNS/c1-4-15-6-7-16(20-15)11-17(19-5-2)13-8-12(3)9-14(18)10-13/h6-10,17,19H,4-5,11H2,1-3H3
InChIKeyIVWLVZNALLNVNS-UHFFFAOYSA-N
XLogP5.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.34
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromo-5-methylphenyl)-N-ethyl-2-(5-ethylthiophen-2-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromo-5-methylphenyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 113460855
1-(3-bromo-5-methylphenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
CID 105030297
N-ethyl-2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 63412218
2-(5-bromothiophen-2-yl)-N-ethyl-1-(4-methylphenyl)ethanamine
CID 62600711
1-(3-bromo-5-methylphenyl)-2-(3-chloro-2-fluorophenyl)-N-ethylethanamine
CID 102866399
N-ethyl-2-(5-ethylthiophen-2-yl)-1-(3-methoxyphenyl)ethanamine
CID 62605862
1-(3-bromo-5-methylphenyl)-N-ethylhex-4-yn-1-amine
CID 105037089
1-(3-chloro-4-fluorophenyl)-N-ethyl-2-(5-ethylthiophen-2-yl)ethanamine
CID 63418184
N-ethyl-2-(5-ethylthiophen-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 115842305
1-(3-bromo-5-methylphenyl)-N-ethylpent-4-en-1-amine
CID 104987248
N-[1-(5-bromothiophen-3-yl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 105136104
1-(3-bromo-5-methylphenyl)-N-propylpropan-1-amine
CID 114979558

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylphenyl)-N-ethyl-2-(5-ethylthiophen-2-yl)ethanamine?
The IUPAC name of 1-(3-bromo-5-methylphenyl)-N-ethyl-2-(5-ethylthiophen-2-yl)ethanamine (CID 115842312) is 1-(3-bromo-5-methylphenyl)-N-ethyl-2-(5-ethylthiophen-2-yl)ethanamine.
What is the SMILES notation for 1-(3-bromo-5-methylphenyl)-N-ethyl-2-(5-ethylthiophen-2-yl)ethanamine?
The canonical SMILES for 1-(3-bromo-5-methylphenyl)-N-ethyl-2-(5-ethylthiophen-2-yl)ethanamine is CCNC(Cc1ccc(CC)s1)c1cc(C)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-methylphenyl)-N-ethyl-2-(5-ethylthiophen-2-yl)ethanamine?
The InChIKey is IVWLVZNALLNVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNS/c1-4-15-6-7-16(20-15)11-17(19-5-2)13-8-12(3)9-14(18)10-13/h6-10,17,19H,4-5,11H2,1-3H3.
What are the key properties of 1-(3-bromo-5-methylphenyl)-N-ethyl-2-(5-ethylthiophen-2-yl)ethanamine?
1-(3-bromo-5-methylphenyl)-N-ethyl-2-(5-ethylthiophen-2-yl)ethanamine has a molecular weight of 352.34 g/mol, XLogP of 5.27, 6 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-(5-ethylthiophen-2-yl)ethanamine is sourced from PubChem (CID 115842312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).