4-(4-bromothiophen-3-yl)-N-ethylpentan-2-amine

C11H18BrNS — CID 79602709

IUPAC4-(4-bromothiophen-3-yl)-N-ethylpentan-2-amine
SMILESCCNC(C)CC(C)c1cscc1Br
InChIInChI=1S/C11H18BrNS/c1-4-13-9(3)5-8(2)10-6-14-7-11(10)12/h6-9,13H,4-5H2,1-3H3
InChIKeyAAMHRXMECCDXIU-UHFFFAOYSA-N
MW276.24 g/mol
LogP4.00
Rot. Bonds5

About 4-(4-bromothiophen-3-yl)-N-ethylpentan-2-amine

4-(4-bromothiophen-3-yl)-N-ethylpentan-2-amine (PubChem CID 79602709) has the molecular formula C11H18BrNS and a molecular weight of 276.24 g/mol. Its IUPAC name is 4-(4-bromothiophen-3-yl)-N-ethylpentan-2-amine.

Molecular Properties

Compound Name4-(4-bromothiophen-3-yl)-N-ethylpentan-2-amine
PubChem CID79602709
Molecular FormulaC11H18BrNS
Molecular Weight276.24 g/mol
Exact Mass275.03
IUPAC Name4-(4-bromothiophen-3-yl)-N-ethylpentan-2-amine
SMILESCCNC(C)CC(C)c1cscc1Br
InChIInChI=1S/C11H18BrNS/c1-4-13-9(3)5-8(2)10-6-14-7-11(10)12/h6-9,13H,4-5H2,1-3H3
InChIKeyAAMHRXMECCDXIU-UHFFFAOYSA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromothiophen-3-yl)-N-ethylpentan-2-amine?
The IUPAC name of 4-(4-bromothiophen-3-yl)-N-ethylpentan-2-amine (CID 79602709) is 4-(4-bromothiophen-3-yl)-N-ethylpentan-2-amine.
What is the SMILES notation for 4-(4-bromothiophen-3-yl)-N-ethylpentan-2-amine?
The canonical SMILES for 4-(4-bromothiophen-3-yl)-N-ethylpentan-2-amine is CCNC(C)CC(C)c1cscc1Br.
What is the InChIKey of 4-(4-bromothiophen-3-yl)-N-ethylpentan-2-amine?
The InChIKey is AAMHRXMECCDXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNS/c1-4-13-9(3)5-8(2)10-6-14-7-11(10)12/h6-9,13H,4-5H2,1-3H3.
What are the key properties of 4-(4-bromothiophen-3-yl)-N-ethylpentan-2-amine?
4-(4-bromothiophen-3-yl)-N-ethylpentan-2-amine has a molecular weight of 276.24 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromothiophen-3-yl)-N-ethylpentan-2-amine is sourced from PubChem (CID 79602709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).