1-(3-bromothiophen-2-yl)-N-ethylprop-2-yn-1-amine

C9H10BrNS — CID 104995685

IUPAC1-(3-bromothiophen-2-yl)-N-ethylprop-2-yn-1-amine
SMILESC#CC(NCC)c1sccc1Br
InChIInChI=1S/C9H10BrNS/c1-3-8(11-4-2)9-7(10)5-6-12-9/h1,5-6,8,11H,4H2,2H3
InChIKeyBNQAEOYFTBOXEN-UHFFFAOYSA-N
MW244.16 g/mol
LogP2.79
Rot. Bonds3

About 1-(3-bromothiophen-2-yl)-N-ethylprop-2-yn-1-amine

1-(3-bromothiophen-2-yl)-N-ethylprop-2-yn-1-amine (PubChem CID 104995685) has the molecular formula C9H10BrNS and a molecular weight of 244.16 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-N-ethylprop-2-yn-1-amine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-N-ethylprop-2-yn-1-amine
PubChem CID104995685
Molecular FormulaC9H10BrNS
Molecular Weight244.16 g/mol
Exact Mass242.97
IUPAC Name1-(3-bromothiophen-2-yl)-N-ethylprop-2-yn-1-amine
SMILESC#CC(NCC)c1sccc1Br
InChIInChI=1S/C9H10BrNS/c1-3-8(11-4-2)9-7(10)5-6-12-9/h1,5-6,8,11H,4H2,2H3
InChIKeyBNQAEOYFTBOXEN-UHFFFAOYSA-N
XLogP2.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.16
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chlorothiophen-2-yl)-N-ethylprop-2-yn-1-amine
CID 104995867
1-(3-bromothiophen-2-yl)-N-propylbut-3-yn-1-amine
CID 114977322
N-[(3-bromothiophen-2-yl)-(4-iodophenyl)methyl]ethanamine
CID 80535832
N-[(3-bromo-4-methylphenyl)-(3-bromothiophen-2-yl)methyl]ethanamine
CID 81472376
N-[(3-bromo-2,6-difluorophenyl)-(3-bromothiophen-2-yl)methyl]ethanamine
CID 106944924
2-(4-bromophenyl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine
CID 63797423
1-(3-bromothiophen-2-yl)-N-ethylundecan-1-amine
CID 115845930
N-[(3-bromothiophen-2-yl)-[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 80536090
1-(3-bromothiophen-2-yl)-N-ethyl-2-phenylbutan-1-amine
CID 80535854
1-(3-bromothiophen-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
CID 103028722
1-(2-bromo-5-fluorophenyl)-N-ethylprop-2-yn-1-amine
CID 104995612
N-[(3-bromothiophen-2-yl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 79746478

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-N-ethylprop-2-yn-1-amine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-N-ethylprop-2-yn-1-amine (CID 104995685) is 1-(3-bromothiophen-2-yl)-N-ethylprop-2-yn-1-amine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-N-ethylprop-2-yn-1-amine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-N-ethylprop-2-yn-1-amine is C#CC(NCC)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-N-ethylprop-2-yn-1-amine?
The InChIKey is BNQAEOYFTBOXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNS/c1-3-8(11-4-2)9-7(10)5-6-12-9/h1,5-6,8,11H,4H2,2H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-N-ethylprop-2-yn-1-amine?
1-(3-bromothiophen-2-yl)-N-ethylprop-2-yn-1-amine has a molecular weight of 244.16 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-N-ethylprop-2-yn-1-amine is sourced from PubChem (CID 104995685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).