3-(4-bromothiophen-2-yl)-N-ethylpropan-1-amine

C9H14BrNS — CID 62530402

IUPAC3-(4-bromothiophen-2-yl)-N-ethylpropan-1-amine
SMILESCCNCCCc1cc(Br)cs1
InChIInChI=1S/C9H14BrNS/c1-2-11-5-3-4-9-6-8(10)7-12-9/h6-7,11H,2-5H2,1H3
InChIKeyIWMCDOAWCPSQMY-UHFFFAOYSA-N
MW248.19 g/mol
LogP3.05
Rot. Bonds5

About 3-(4-bromothiophen-2-yl)-N-ethylpropan-1-amine

3-(4-bromothiophen-2-yl)-N-ethylpropan-1-amine (PubChem CID 62530402) has the molecular formula C9H14BrNS and a molecular weight of 248.19 g/mol. Its IUPAC name is 3-(4-bromothiophen-2-yl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name3-(4-bromothiophen-2-yl)-N-ethylpropan-1-amine
PubChem CID62530402
Molecular FormulaC9H14BrNS
Molecular Weight248.19 g/mol
Exact Mass247.00
IUPAC Name3-(4-bromothiophen-2-yl)-N-ethylpropan-1-amine
SMILESCCNCCCc1cc(Br)cs1
InChIInChI=1S/C9H14BrNS/c1-2-11-5-3-4-9-6-8(10)7-12-9/h6-7,11H,2-5H2,1H3
InChIKeyIWMCDOAWCPSQMY-UHFFFAOYSA-N
XLogP3.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.19
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-bromothiophen-2-yl)-N-methylpropan-1-amine
CID 62530823
N'-[(4-bromothiophen-2-yl)methyl]-N-ethyl-N'-methylbutane-1,4-diamine
CID 62430991
N-[2-(4-bromothiophen-2-yl)ethyl]-2-methylpropan-2-amine
CID 62550442
N'-[2-(4-bromothiophen-2-yl)ethyl]-N-methylpropane-1,3-diamine
CID 115198009
2-(4-bromothiophen-2-yl)ethylhydrazine
CID 105220814
5-(4-bromothiophen-2-yl)-N-methylpentan-2-amine
CID 64504462
N-[(4-bromothiophen-2-yl)methyl]-3-propoxypropan-1-amine
CID 82941408
2-[2-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-1-ol
CID 115133567
4-(4-bromothiophen-2-yl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 81015481
N'-[(4-bromothiophen-2-yl)methyl]-N'-methyl-N-propylbutane-1,4-diamine
CID 62430992
N-[(5-butylthiophen-3-yl)methyl]ethanamine
CID 114748838
5-bromo-N-[(4-bromothiophen-2-yl)methyl]pentan-1-amine
CID 107320315

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromothiophen-2-yl)-N-ethylpropan-1-amine?
The IUPAC name of 3-(4-bromothiophen-2-yl)-N-ethylpropan-1-amine (CID 62530402) is 3-(4-bromothiophen-2-yl)-N-ethylpropan-1-amine.
What is the SMILES notation for 3-(4-bromothiophen-2-yl)-N-ethylpropan-1-amine?
The canonical SMILES for 3-(4-bromothiophen-2-yl)-N-ethylpropan-1-amine is CCNCCCc1cc(Br)cs1.
What is the InChIKey of 3-(4-bromothiophen-2-yl)-N-ethylpropan-1-amine?
The InChIKey is IWMCDOAWCPSQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNS/c1-2-11-5-3-4-9-6-8(10)7-12-9/h6-7,11H,2-5H2,1H3.
What are the key properties of 3-(4-bromothiophen-2-yl)-N-ethylpropan-1-amine?
3-(4-bromothiophen-2-yl)-N-ethylpropan-1-amine has a molecular weight of 248.19 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromothiophen-2-yl)-N-ethylpropan-1-amine is sourced from PubChem (CID 62530402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).