1-(3-bromofuran-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine

C11H18BrNOS — CID 65131664

IUPAC1-(3-bromofuran-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine
SMILESCCNC(CSC(C)C)c1occc1Br
InChIInChI=1S/C11H18BrNOS/c1-4-13-10(7-15-8(2)3)11-9(12)5-6-14-11/h5-6,8,10,13H,4,7H2,1-3H3
InChIKeyBEBQCKIZKDKTNX-UHFFFAOYSA-N
MW292.24 g/mol
LogP3.83
Rot. Bonds6

About 1-(3-bromofuran-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine

1-(3-bromofuran-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine (PubChem CID 65131664) has the molecular formula C11H18BrNOS and a molecular weight of 292.24 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine
PubChem CID65131664
Molecular FormulaC11H18BrNOS
Molecular Weight292.24 g/mol
Exact Mass291.03
IUPAC Name1-(3-bromofuran-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine
SMILESCCNC(CSC(C)C)c1occc1Br
InChIInChI=1S/C11H18BrNOS/c1-4-13-10(7-15-8(2)3)11-9(12)5-6-14-11/h5-6,8,10,13H,4,7H2,1-3H3
InChIKeyBEBQCKIZKDKTNX-UHFFFAOYSA-N
XLogP3.83
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-bromofuran-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromofuran-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 63943052
1-(3-bromofuran-2-yl)-2-(4-bromophenyl)-N-ethylethanamine
CID 63941856
1-(3-bromofuran-2-yl)-N-ethyl-2-(3-fluorophenyl)sulfanylethanamine
CID 66072502
1-(3-bromofuran-2-yl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 63943428
1-(3-bromofuran-2-yl)-N-ethyl-3-propoxypropan-1-amine
CID 105150512
1-(3-bromofuran-2-yl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 63942062
1-(3-bromofuran-2-yl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine
CID 102928465
N-[1-(3-bromofuran-2-yl)-2-(4-bromophenyl)sulfanylethyl]propan-1-amine
CID 66054930
2-(1-adamantyl)-1-(3-bromofuran-2-yl)-N-ethylethanamine
CID 115861663
N-[7-bicyclo[4.1.0]heptanyl-(3-bromofuran-2-yl)methyl]ethanamine
CID 115861255
1-(3-bromofuran-2-yl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine
CID 115861589
N-[1-(3-bromofuran-2-yl)-2-(4-chlorophenyl)sulfanylethyl]propan-1-amine
CID 66145552

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine?
The IUPAC name of 1-(3-bromofuran-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine (CID 65131664) is 1-(3-bromofuran-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine?
The canonical SMILES for 1-(3-bromofuran-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine is CCNC(CSC(C)C)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine?
The InChIKey is BEBQCKIZKDKTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNOS/c1-4-13-10(7-15-8(2)3)11-9(12)5-6-14-11/h5-6,8,10,13H,4,7H2,1-3H3.
What are the key properties of 1-(3-bromofuran-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine?
1-(3-bromofuran-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine has a molecular weight of 292.24 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine is sourced from PubChem (CID 65131664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).