3-(3-bromofuran-2-yl)-N-ethylbutan-1-amine

C10H16BrNO — CID 81019380

IUPAC3-(3-bromofuran-2-yl)-N-ethylbutan-1-amine
SMILESCCNCCC(C)c1occc1Br
InChIInChI=1S/C10H16BrNO/c1-3-12-6-4-8(2)10-9(11)5-7-13-10/h5,7-8,12H,3-4,6H2,1-2H3
InChIKeyDSMJAPRRTLONMW-UHFFFAOYSA-N
MW246.15 g/mol
LogP3.15
Rot. Bonds5

About 3-(3-bromofuran-2-yl)-N-ethylbutan-1-amine

3-(3-bromofuran-2-yl)-N-ethylbutan-1-amine (PubChem CID 81019380) has the molecular formula C10H16BrNO and a molecular weight of 246.15 g/mol. Its IUPAC name is 3-(3-bromofuran-2-yl)-N-ethylbutan-1-amine.

Molecular Properties

Compound Name3-(3-bromofuran-2-yl)-N-ethylbutan-1-amine
PubChem CID81019380
Molecular FormulaC10H16BrNO
Molecular Weight246.15 g/mol
Exact Mass245.04
IUPAC Name3-(3-bromofuran-2-yl)-N-ethylbutan-1-amine
SMILESCCNCCC(C)c1occc1Br
InChIInChI=1S/C10H16BrNO/c1-3-12-6-4-8(2)10-9(11)5-7-13-10/h5,7-8,12H,3-4,6H2,1-2H3
InChIKeyDSMJAPRRTLONMW-UHFFFAOYSA-N
XLogP3.15
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.15
LogP ≤ 53.15
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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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromofuran-2-yl)-N-ethylbutan-1-amine?
The IUPAC name of 3-(3-bromofuran-2-yl)-N-ethylbutan-1-amine (CID 81019380) is 3-(3-bromofuran-2-yl)-N-ethylbutan-1-amine.
What is the SMILES notation for 3-(3-bromofuran-2-yl)-N-ethylbutan-1-amine?
The canonical SMILES for 3-(3-bromofuran-2-yl)-N-ethylbutan-1-amine is CCNCCC(C)c1occc1Br.
What is the InChIKey of 3-(3-bromofuran-2-yl)-N-ethylbutan-1-amine?
The InChIKey is DSMJAPRRTLONMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNO/c1-3-12-6-4-8(2)10-9(11)5-7-13-10/h5,7-8,12H,3-4,6H2,1-2H3.
What are the key properties of 3-(3-bromofuran-2-yl)-N-ethylbutan-1-amine?
3-(3-bromofuran-2-yl)-N-ethylbutan-1-amine has a molecular weight of 246.15 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromofuran-2-yl)-N-ethylbutan-1-amine is sourced from PubChem (CID 81019380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).