2-(4-bromo-5-propan-2-ylfuran-2-yl)-N-methylethanamine

C10H16BrNO — CID 83843679

IUPAC2-(4-bromo-5-propan-2-ylfuran-2-yl)-N-methylethanamine
SMILESCNCCc1cc(Br)c(C(C)C)o1
InChIInChI=1S/C10H16BrNO/c1-7(2)10-9(11)6-8(13-10)4-5-12-3/h6-7,12H,4-5H2,1-3H3
InChIKeyOWWLGOGNBRCLJT-UHFFFAOYSA-N
MW246.15 g/mol
LogP2.93
Rot. Bonds4

About 2-(4-bromo-5-propan-2-ylfuran-2-yl)-N-methylethanamine

2-(4-bromo-5-propan-2-ylfuran-2-yl)-N-methylethanamine (PubChem CID 83843679) has the molecular formula C10H16BrNO and a molecular weight of 246.15 g/mol. Its IUPAC name is 2-(4-bromo-5-propan-2-ylfuran-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-bromo-5-propan-2-ylfuran-2-yl)-N-methylethanamine
PubChem CID83843679
Molecular FormulaC10H16BrNO
Molecular Weight246.15 g/mol
Exact Mass245.04
IUPAC Name2-(4-bromo-5-propan-2-ylfuran-2-yl)-N-methylethanamine
SMILESCNCCc1cc(Br)c(C(C)C)o1
InChIInChI=1S/C10H16BrNO/c1-7(2)10-9(11)6-8(13-10)4-5-12-3/h6-7,12H,4-5H2,1-3H3
InChIKeyOWWLGOGNBRCLJT-UHFFFAOYSA-N
XLogP2.93
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.15
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-5-butan-2-ylfuran-2-yl)ethanamine
CID 83843681
4-bromo-2-[2-(methylamino)ethyl]-5-propan-2-ylphenol
CID 84713316
2-(5-bromo-2-propan-2-ylphenyl)-N-methylethanamine
CID 83901309
2-(5-bromo-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methylethanamine
CID 117461082
2-(6-ethyl-1-benzofuran-2-yl)-N-methylethanamine
CID 126619868
2-(2,3-dimethyl-5-propan-2-ylphenyl)-N-methylethanamine
CID 117294246
5-bromo-2-propan-2-ylfuran-3-amine
CID 82396772
2-(3,5-dimethylfuran-2-yl)-N-methylethanamine
CID 83872683
2-(2-bromo-1-benzofuran-6-yl)-N-methylethanamine
CID 83900820
N-[(4,5-dibromofuran-2-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 62085345
3,5-diethyl-2-propan-2-ylfuran
CID 155737592
2-(2-bromophenyl)-N-methylethanamine
CID 11964124

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-propan-2-ylfuran-2-yl)-N-methylethanamine?
The IUPAC name of 2-(4-bromo-5-propan-2-ylfuran-2-yl)-N-methylethanamine (CID 83843679) is 2-(4-bromo-5-propan-2-ylfuran-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(4-bromo-5-propan-2-ylfuran-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(4-bromo-5-propan-2-ylfuran-2-yl)-N-methylethanamine is CNCCc1cc(Br)c(C(C)C)o1.
What is the InChIKey of 2-(4-bromo-5-propan-2-ylfuran-2-yl)-N-methylethanamine?
The InChIKey is OWWLGOGNBRCLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNO/c1-7(2)10-9(11)6-8(13-10)4-5-12-3/h6-7,12H,4-5H2,1-3H3.
What are the key properties of 2-(4-bromo-5-propan-2-ylfuran-2-yl)-N-methylethanamine?
2-(4-bromo-5-propan-2-ylfuran-2-yl)-N-methylethanamine has a molecular weight of 246.15 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-propan-2-ylfuran-2-yl)-N-methylethanamine is sourced from PubChem (CID 83843679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).