1-(2-bromo-3-methylphenyl)-2-(furan-2-yl)ethanamine

C13H14BrNO — CID 107985336

IUPAC1-(2-bromo-3-methylphenyl)-2-(furan-2-yl)ethanamine
SMILESCc1cccc(C(N)Cc2ccco2)c1Br
InChIInChI=1S/C13H14BrNO/c1-9-4-2-6-11(13(9)14)12(15)8-10-5-3-7-16-10/h2-7,12H,8,15H2,1H3
InChIKeyKZCUIYYBZAJFGU-UHFFFAOYSA-N
MW280.16 g/mol
LogP3.59
Rot. Bonds3

About 1-(2-bromo-3-methylphenyl)-2-(furan-2-yl)ethanamine

1-(2-bromo-3-methylphenyl)-2-(furan-2-yl)ethanamine (PubChem CID 107985336) has the molecular formula C13H14BrNO and a molecular weight of 280.16 g/mol. Its IUPAC name is 1-(2-bromo-3-methylphenyl)-2-(furan-2-yl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-3-methylphenyl)-2-(furan-2-yl)ethanamine
PubChem CID107985336
Molecular FormulaC13H14BrNO
Molecular Weight280.16 g/mol
Exact Mass279.03
IUPAC Name1-(2-bromo-3-methylphenyl)-2-(furan-2-yl)ethanamine
SMILESCc1cccc(C(N)Cc2ccco2)c1Br
InChIInChI=1S/C13H14BrNO/c1-9-4-2-6-11(13(9)14)12(15)8-10-5-3-7-16-10/h2-7,12H,8,15H2,1H3
InChIKeyKZCUIYYBZAJFGU-UHFFFAOYSA-N
XLogP3.59
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.16
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-3-methylphenyl)-2-(furan-2-yl)ethanamine
CID 105029224
N-[1-(2-bromo-3-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 107985335
2-(furan-2-yl)-1-(2-iodophenyl)ethanamine
CID 105029496
1-(2-bromo-3-methylphenyl)-2-(4-bromothiophen-2-yl)ethanamine
CID 107984904
2-(furan-2-yl)-1-(3-methylfuran-2-yl)ethanamine
CID 104804301
1-(2,5-dimethylfuran-3-yl)-2-(furan-2-yl)ethanamine
CID 105029404
(1R)-1-(2-bromo-3-methylphenyl)ethanamine
CID 96955711
1-(2-bromo-3-methylphenyl)-3-methylbutan-1-amine
CID 107984716
1-(2,3-dimethylphenyl)-3-(furan-2-yl)propan-1-amine
CID 105140596
2-(furan-2-yl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 105029210
(3R)-3-amino-3-(2-bromo-3-methylphenyl)propan-1-ol
CID 130955641
1-(5-bromo-2-chlorophenyl)-2-(furan-2-yl)ethanamine
CID 105029176

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-methylphenyl)-2-(furan-2-yl)ethanamine?
The IUPAC name of 1-(2-bromo-3-methylphenyl)-2-(furan-2-yl)ethanamine (CID 107985336) is 1-(2-bromo-3-methylphenyl)-2-(furan-2-yl)ethanamine.
What is the SMILES notation for 1-(2-bromo-3-methylphenyl)-2-(furan-2-yl)ethanamine?
The canonical SMILES for 1-(2-bromo-3-methylphenyl)-2-(furan-2-yl)ethanamine is Cc1cccc(C(N)Cc2ccco2)c1Br.
What is the InChIKey of 1-(2-bromo-3-methylphenyl)-2-(furan-2-yl)ethanamine?
The InChIKey is KZCUIYYBZAJFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO/c1-9-4-2-6-11(13(9)14)12(15)8-10-5-3-7-16-10/h2-7,12H,8,15H2,1H3.
What are the key properties of 1-(2-bromo-3-methylphenyl)-2-(furan-2-yl)ethanamine?
1-(2-bromo-3-methylphenyl)-2-(furan-2-yl)ethanamine has a molecular weight of 280.16 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-methylphenyl)-2-(furan-2-yl)ethanamine is sourced from PubChem (CID 107985336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).