1-(4-bromothiophen-2-yl)-2-propoxyethanamine

C9H14BrNOS — CID 79575561

IUPAC1-(4-bromothiophen-2-yl)-2-propoxyethanamine
SMILESCCCOCC(N)c1cc(Br)cs1
InChIInChI=1S/C9H14BrNOS/c1-2-3-12-5-8(11)9-4-7(10)6-13-9/h4,6,8H,2-3,5,11H2,1H3
InChIKeyMWDPLWYSHOMMJA-UHFFFAOYSA-N
MW264.19 g/mol
LogP2.94
Rot. Bonds5

About 1-(4-bromothiophen-2-yl)-2-propoxyethanamine

1-(4-bromothiophen-2-yl)-2-propoxyethanamine (PubChem CID 79575561) has the molecular formula C9H14BrNOS and a molecular weight of 264.19 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-2-propoxyethanamine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-2-propoxyethanamine
PubChem CID79575561
Molecular FormulaC9H14BrNOS
Molecular Weight264.19 g/mol
Exact Mass263.00
IUPAC Name1-(4-bromothiophen-2-yl)-2-propoxyethanamine
SMILESCCCOCC(N)c1cc(Br)cs1
InChIInChI=1S/C9H14BrNOS/c1-2-3-12-5-8(11)9-4-7(10)6-13-9/h4,6,8H,2-3,5,11H2,1H3
InChIKeyMWDPLWYSHOMMJA-UHFFFAOYSA-N
XLogP2.94
TPSA35.25 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 ≤ 52.94
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

[1-(4-bromothiophen-2-yl)-2-propoxyethyl]hydrazine
CID 105222366
(1R)-1-(4-bromothiophen-2-yl)propane-1,3-diamine
CID 131145468
1-(4-bromothiophen-3-yl)-2-propoxyethanamine
CID 79595871
ethyl (3R)-3-amino-3-(4-bromothiophen-2-yl)-2-fluoropropanoate;hydrochloride
CID 171245711
1-(4-bromothiophen-2-yl)-4-ethylsulfonylbutan-1-amine
CID 65095567
1-[5-(3,5-dibromophenyl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 107974498
4-bromo-2-(propoxymethyl)thiophene
CID 59332771
2-(4-bromothiophen-2-yl)-2-(2-methylpentoxy)ethanamine
CID 103283048
1-(4-bromothiophen-2-yl)-2-ethoxyethanol
CID 79567182
(1S)-1-(4-bromothiophen-2-yl)ethanamine
CID 64712232
1-(4-bromothiophen-2-yl)-N-ethyl-3-propoxypropan-2-amine
CID 62604703
1-(2-methylthiophen-3-yl)-2-propoxyethanamine
CID 102832182

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-2-propoxyethanamine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-2-propoxyethanamine (CID 79575561) is 1-(4-bromothiophen-2-yl)-2-propoxyethanamine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-2-propoxyethanamine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-2-propoxyethanamine is CCCOCC(N)c1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-2-propoxyethanamine?
The InChIKey is MWDPLWYSHOMMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNOS/c1-2-3-12-5-8(11)9-4-7(10)6-13-9/h4,6,8H,2-3,5,11H2,1H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-2-propoxyethanamine?
1-(4-bromothiophen-2-yl)-2-propoxyethanamine has a molecular weight of 264.19 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-2-propoxyethanamine is sourced from PubChem (CID 79575561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).