2-(4-bromophenyl)-1-(2,3-dihydrofuran-5-yl)ethanamine

C12H14BrNO — CID 102651201

IUPAC2-(4-bromophenyl)-1-(2,3-dihydrofuran-5-yl)ethanamine
SMILESNC(Cc1ccc(Br)cc1)C1=CCCO1
InChIInChI=1S/C12H14BrNO/c13-10-5-3-9(4-6-10)8-11(14)12-2-1-7-15-12/h2-6,11H,1,7-8,14H2
InChIKeyUWEBRJDTMLWNKG-UHFFFAOYSA-N
MW268.15 g/mol
LogP2.62
Rot. Bonds3

About 2-(4-bromophenyl)-1-(2,3-dihydrofuran-5-yl)ethanamine

2-(4-bromophenyl)-1-(2,3-dihydrofuran-5-yl)ethanamine (PubChem CID 102651201) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(2,3-dihydrofuran-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(2,3-dihydrofuran-5-yl)ethanamine
PubChem CID102651201
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name2-(4-bromophenyl)-1-(2,3-dihydrofuran-5-yl)ethanamine
SMILESNC(Cc1ccc(Br)cc1)C1=CCCO1
InChIInChI=1S/C12H14BrNO/c13-10-5-3-9(4-6-10)8-11(14)12-2-1-7-15-12/h2-6,11H,1,7-8,14H2
InChIKeyUWEBRJDTMLWNKG-UHFFFAOYSA-N
XLogP2.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine
CID 102647143
2-(4-bromophenyl)-1-(2,3-dihydrofuran-5-yl)-N-ethylethanamine
CID 102651241
1-(2,3-dihydrofuran-5-yl)-3-(4-methylphenyl)propan-1-amine
CID 102653299
1-(2,3-dihydrofuran-5-yl)-3-methylbutan-1-amine
CID 102651213
2-(4-bromophenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 43198672
1-(2,3-dihydrofuran-5-yl)pentan-1-amine
CID 102651898
1-(2,3-dihydrofuran-5-yl)-3,4,4-trimethylpentan-1-amine
CID 102653140
2,3-dihydrofuran-5-yl-(4-ethylphenyl)methanamine
CID 102651207
1-(2,3-dihydrofuran-5-yl)-4-methoxypentan-1-amine
CID 102653078
2-(4-bromophenyl)-1-(4-methylphenyl)ethanamine
CID 24697978
2-(4-bromophenyl)-1-(2,6-difluoro-4-methoxyphenyl)ethanamine
CID 60964951
(2-amino-5-bromophenyl)-(2,3-dihydrofuran-5-yl)methanol
CID 102654835

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(2,3-dihydrofuran-5-yl)ethanamine?
The IUPAC name of 2-(4-bromophenyl)-1-(2,3-dihydrofuran-5-yl)ethanamine (CID 102651201) is 2-(4-bromophenyl)-1-(2,3-dihydrofuran-5-yl)ethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-1-(2,3-dihydrofuran-5-yl)ethanamine?
The canonical SMILES for 2-(4-bromophenyl)-1-(2,3-dihydrofuran-5-yl)ethanamine is NC(Cc1ccc(Br)cc1)C1=CCCO1.
What is the InChIKey of 2-(4-bromophenyl)-1-(2,3-dihydrofuran-5-yl)ethanamine?
The InChIKey is UWEBRJDTMLWNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO/c13-10-5-3-9(4-6-10)8-11(14)12-2-1-7-15-12/h2-6,11H,1,7-8,14H2.
What are the key properties of 2-(4-bromophenyl)-1-(2,3-dihydrofuran-5-yl)ethanamine?
2-(4-bromophenyl)-1-(2,3-dihydrofuran-5-yl)ethanamine has a molecular weight of 268.15 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(2,3-dihydrofuran-5-yl)ethanamine is sourced from PubChem (CID 102651201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).