3-(3-bromofuran-2-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine

C13H22BrNO — CID 81034088

IUPAC3-(3-bromofuran-2-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCCC(C)(C)c1occc1Br
InChIInChI=1S/C13H22BrNO/c1-10(2)9-15-7-6-13(3,4)12-11(14)5-8-16-12/h5,8,10,15H,6-7,9H2,1-4H3
InChIKeySPXYYOZXWPHMOG-UHFFFAOYSA-N
MW288.23 g/mol
LogP3.96
Rot. Bonds6

About 3-(3-bromofuran-2-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine

3-(3-bromofuran-2-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 81034088) has the molecular formula C13H22BrNO and a molecular weight of 288.23 g/mol. Its IUPAC name is 3-(3-bromofuran-2-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name3-(3-bromofuran-2-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
PubChem CID81034088
Molecular FormulaC13H22BrNO
Molecular Weight288.23 g/mol
Exact Mass287.09
IUPAC Name3-(3-bromofuran-2-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCCC(C)(C)c1occc1Br
InChIInChI=1S/C13H22BrNO/c1-10(2)9-15-7-6-13(3,4)12-11(14)5-8-16-12/h5,8,10,15H,6-7,9H2,1-4H3
InChIKeySPXYYOZXWPHMOG-UHFFFAOYSA-N
XLogP3.96
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 53.96
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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Related Compounds

4-(3-bromofuran-2-yl)-4-methylpentan-2-ol
CID 64716188
3-(4,5-dibromothiophen-2-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 80534974
3-(4-bromo-5-chlorothiophen-2-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 102838807
3-(4-iodophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79830112
3-(5-bromo-2-methylthiophen-3-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79830232
2-(3-bromofuran-2-yl)-4-(2-methoxyethylamino)butan-2-ol
CID 66002880
3-methyl-N-(2-methylpropyl)-3-thiophen-2-ylbutan-1-amine
CID 79830202
2-(3-bromofuran-2-yl)-3-methylbutan-2-ol
CID 63950641
3-(3-chlorothiophen-2-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 80531932
2-(3-bromofuran-2-yl)-3,3-dimethylbutan-2-amine
CID 165353121
1-(5-bromothiophen-2-yl)-2-methyl-4-(2-methylpropylamino)butan-2-ol
CID 66002474
N-[[2-(3-bromofuran-2-yl)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 106889346

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromofuran-2-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 3-(3-bromofuran-2-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine (CID 81034088) is 3-(3-bromofuran-2-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 3-(3-bromofuran-2-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 3-(3-bromofuran-2-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine is CC(C)CNCCC(C)(C)c1occc1Br.
What is the InChIKey of 3-(3-bromofuran-2-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is SPXYYOZXWPHMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrNO/c1-10(2)9-15-7-6-13(3,4)12-11(14)5-8-16-12/h5,8,10,15H,6-7,9H2,1-4H3.
What are the key properties of 3-(3-bromofuran-2-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine?
3-(3-bromofuran-2-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 288.23 g/mol, XLogP of 3.96, 6 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)-3-methyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 81034088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).