1-(3-bromofuran-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine

C12H20BrNO — CID 63943052

IUPAC1-(3-bromofuran-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine
SMILESCCNC(CC(C)(C)C)c1occc1Br
InChIInChI=1S/C12H20BrNO/c1-5-14-10(8-12(2,3)4)11-9(13)6-7-15-11/h6-7,10,14H,5,8H2,1-4H3
InChIKeyRTUQKKMEWVBYTP-UHFFFAOYSA-N
MW274.20 g/mol
LogP4.13
Rot. Bonds4

About 1-(3-bromofuran-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine

1-(3-bromofuran-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine (PubChem CID 63943052) has the molecular formula C12H20BrNO and a molecular weight of 274.20 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine
PubChem CID63943052
Molecular FormulaC12H20BrNO
Molecular Weight274.20 g/mol
Exact Mass273.07
IUPAC Name1-(3-bromofuran-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine
SMILESCCNC(CC(C)(C)C)c1occc1Br
InChIInChI=1S/C12H20BrNO/c1-5-14-10(8-12(2,3)4)11-9(13)6-7-15-11/h6-7,10,14H,5,8H2,1-4H3
InChIKeyRTUQKKMEWVBYTP-UHFFFAOYSA-N
XLogP4.13
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromofuran-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine 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-2-propan-2-ylsulfanylethanamine
CID 65131664
1-(3-bromofuran-2-yl)-2-(4-bromophenyl)-N-ethylethanamine
CID 63941856
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
2-(1-adamantyl)-1-(3-bromofuran-2-yl)-N-ethylethanamine
CID 115861663
1-(4-bromophenyl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 43488677
1-(3-bromofuran-2-yl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine
CID 115861589
1-(3-bromofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 106885776
1-(3-bromofuran-2-yl)-N-propan-2-ylethane-1,2-diamine
CID 106885701
1-(3-bromofuran-2-yl)-N-ethyl-2-(3-fluorophenyl)sulfanylethanamine
CID 66072502

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine?
The IUPAC name of 1-(3-bromofuran-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine (CID 63943052) is 1-(3-bromofuran-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(3-bromofuran-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine is CCNC(CC(C)(C)C)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine?
The InChIKey is RTUQKKMEWVBYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrNO/c1-5-14-10(8-12(2,3)4)11-9(13)6-7-15-11/h6-7,10,14H,5,8H2,1-4H3.
What are the key properties of 1-(3-bromofuran-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine?
1-(3-bromofuran-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine has a molecular weight of 274.20 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 63943052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).