1-(5-bromothiophen-2-yl)-N-[2-(2-methylphenyl)ethyl]ethanamine

C15H18BrNS — CID 79763036

IUPAC1-(5-bromothiophen-2-yl)-N-[2-(2-methylphenyl)ethyl]ethanamine
SMILESCc1ccccc1CCNC(C)c1ccc(Br)s1
InChIInChI=1S/C15H18BrNS/c1-11-5-3-4-6-13(11)9-10-17-12(2)14-7-8-15(16)18-14/h3-8,12,17H,9-10H2,1-2H3
InChIKeyPIAKRRKLSVOMBZ-UHFFFAOYSA-N
MW324.29 g/mol
LogP4.71
Rot. Bonds5

About 1-(5-bromothiophen-2-yl)-N-[2-(2-methylphenyl)ethyl]ethanamine

1-(5-bromothiophen-2-yl)-N-[2-(2-methylphenyl)ethyl]ethanamine (PubChem CID 79763036) has the molecular formula C15H18BrNS and a molecular weight of 324.29 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-N-[2-(2-methylphenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-N-[2-(2-methylphenyl)ethyl]ethanamine
PubChem CID79763036
Molecular FormulaC15H18BrNS
Molecular Weight324.29 g/mol
Exact Mass323.03
IUPAC Name1-(5-bromothiophen-2-yl)-N-[2-(2-methylphenyl)ethyl]ethanamine
SMILESCc1ccccc1CCNC(C)c1ccc(Br)s1
InChIInChI=1S/C15H18BrNS/c1-11-5-3-4-6-13(11)9-10-17-12(2)14-7-8-15(16)18-14/h3-8,12,17H,9-10H2,1-2H3
InChIKeyPIAKRRKLSVOMBZ-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-(5-bromothiophen-2-yl)-N-[2-(2,4-dichlorophenyl)ethyl]ethanamine
CID 63422466
N-[(5-bromothiophen-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 78911502
N-[2-(5-bromothiophen-2-yl)ethyl]-1-thiophen-2-ylethanamine
CID 115712475
(2R)-4-[[(1R)-1-(5-bromothiophen-2-yl)ethyl]amino]butan-2-ol
CID 96784283
(2S)-4-[[(1R)-1-(5-bromothiophen-2-yl)ethyl]amino]butan-2-ol
CID 96784282
(1R)-1-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)ethanamine
CID 93424951
N-[2-(2-methylphenyl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 79763407
N-[1-(5-bromothiophen-2-yl)ethyl]octan-1-amine
CID 115566766
1-(5-bromothiophen-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]ethanamine
CID 114699190
N-[2-(2-methylphenyl)ethyl]but-3-en-2-amine
CID 107907265
N-[1-(5-bromothiophen-2-yl)ethyl]-4,4,4-trifluorobutan-1-amine
CID 81343374
1-(1,3-dimethylpyrazol-4-yl)-N-[2-(2-methylphenyl)ethyl]ethanamine
CID 79763765

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-N-[2-(2-methylphenyl)ethyl]ethanamine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-N-[2-(2-methylphenyl)ethyl]ethanamine (CID 79763036) is 1-(5-bromothiophen-2-yl)-N-[2-(2-methylphenyl)ethyl]ethanamine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-N-[2-(2-methylphenyl)ethyl]ethanamine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-N-[2-(2-methylphenyl)ethyl]ethanamine is Cc1ccccc1CCNC(C)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-N-[2-(2-methylphenyl)ethyl]ethanamine?
The InChIKey is PIAKRRKLSVOMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNS/c1-11-5-3-4-6-13(11)9-10-17-12(2)14-7-8-15(16)18-14/h3-8,12,17H,9-10H2,1-2H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-N-[2-(2-methylphenyl)ethyl]ethanamine?
1-(5-bromothiophen-2-yl)-N-[2-(2-methylphenyl)ethyl]ethanamine 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-(5-bromothiophen-2-yl)-N-[2-(2-methylphenyl)ethyl]ethanamine is sourced from PubChem (CID 79763036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).