(1R)-1-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)ethanamine

C9H14BrNOS — CID 93424951

IUPAC(1R)-1-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)ethanamine
SMILESCOCCN[C@H](C)c1ccc(Br)s1
InChIInChI=1S/C9H14BrNOS/c1-7(11-5-6-12-2)8-3-4-9(10)13-8/h3-4,7,11H,5-6H2,1-2H3/t7-/m1/s1
InChIKeyOOGFOQUPBQXTOF-SSDOTTSWSA-N
MW264.19 g/mol
LogP2.81
Rot. Bonds5

About (1R)-1-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)ethanamine

(1R)-1-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)ethanamine (PubChem CID 93424951) has the molecular formula C9H14BrNOS and a molecular weight of 264.19 g/mol. Its IUPAC name is (1R)-1-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)ethanamine
PubChem CID93424951
Molecular FormulaC9H14BrNOS
Molecular Weight264.19 g/mol
Exact Mass263.00
IUPAC Name(1R)-1-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)ethanamine
SMILESCOCCN[C@H](C)c1ccc(Br)s1
InChIInChI=1S/C9H14BrNOS/c1-7(11-5-6-12-2)8-3-4-9(10)13-8/h3-4,7,11H,5-6H2,1-2H3/t7-/m1/s1
InChIKeyOOGFOQUPBQXTOF-SSDOTTSWSA-N
XLogP2.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.19
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(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
N-[1-(5-bromothiophen-2-yl)ethyl]octan-1-amine
CID 115566766
N-[1-(5-bromothiophen-2-yl)ethyl]-1-methoxy-3-methylbutan-2-amine
CID 65047343
N-[1-(5-bromothiophen-2-yl)ethyl]-4,4,4-trifluorobutan-1-amine
CID 81343374
1-(5-bromothiophen-2-yl)-N-(2-imidazol-1-ylethyl)ethanamine
CID 61323680
(1R)-1-(5-bromothiophen-2-yl)-N-[2-[(R)-tert-butylsulfinyl]ethyl]ethanamine
CID 97322543
1-(1-benzothiophen-2-yl)-N-(2-methoxyethyl)ethanamine
CID 114983148
1-(5-bromothiophen-2-yl)-N-[2-(2-methylphenyl)ethyl]ethanamine
CID 79763036
1-[1-(5-bromothiophen-2-yl)ethylamino]-2-methylpropan-2-ol
CID 65102628
N-[1-(5-bromothiophen-2-yl)ethyl]-3-cyclopentylpropan-1-amine
CID 106008220
1-(5-bromothiophen-2-yl)-N-[(4-ethylcyclohexyl)methyl]ethanamine
CID 63451995

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)ethanamine?
The IUPAC name of (1R)-1-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)ethanamine (CID 93424951) is (1R)-1-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for (1R)-1-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for (1R)-1-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)ethanamine is COCCN[C@H](C)c1ccc(Br)s1.
What is the InChIKey of (1R)-1-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)ethanamine?
The InChIKey is OOGFOQUPBQXTOF-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H14BrNOS/c1-7(11-5-6-12-2)8-3-4-9(10)13-8/h3-4,7,11H,5-6H2,1-2H3/t7-/m1/s1.
What are the key properties of (1R)-1-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)ethanamine?
(1R)-1-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)ethanamine has a molecular weight of 264.19 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 93424951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).