3-(3-bromofuran-2-yl)-1-phenylpropan-1-amine

C13H14BrNO — CID 64502548

IUPAC3-(3-bromofuran-2-yl)-1-phenylpropan-1-amine
SMILESNC(CCc1occc1Br)c1ccccc1
InChIInChI=1S/C13H14BrNO/c14-11-8-9-16-13(11)7-6-12(15)10-4-2-1-3-5-10/h1-5,8-9,12H,6-7,15H2
InChIKeyZUBOZXQSSLLDKQ-UHFFFAOYSA-N
MW280.16 g/mol
LogP3.67
Rot. Bonds4

About 3-(3-bromofuran-2-yl)-1-phenylpropan-1-amine

3-(3-bromofuran-2-yl)-1-phenylpropan-1-amine (PubChem CID 64502548) has the molecular formula C13H14BrNO and a molecular weight of 280.16 g/mol. Its IUPAC name is 3-(3-bromofuran-2-yl)-1-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(3-bromofuran-2-yl)-1-phenylpropan-1-amine
PubChem CID64502548
Molecular FormulaC13H14BrNO
Molecular Weight280.16 g/mol
Exact Mass279.03
IUPAC Name3-(3-bromofuran-2-yl)-1-phenylpropan-1-amine
SMILESNC(CCc1occc1Br)c1ccccc1
InChIInChI=1S/C13H14BrNO/c14-11-8-9-16-13(11)7-6-12(15)10-4-2-1-3-5-10/h1-5,8-9,12H,6-7,15H2
InChIKeyZUBOZXQSSLLDKQ-UHFFFAOYSA-N
XLogP3.67
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.16
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromofuran-2-yl)-1-phenylpropan-1-amine?
The IUPAC name of 3-(3-bromofuran-2-yl)-1-phenylpropan-1-amine (CID 64502548) is 3-(3-bromofuran-2-yl)-1-phenylpropan-1-amine.
What is the SMILES notation for 3-(3-bromofuran-2-yl)-1-phenylpropan-1-amine?
The canonical SMILES for 3-(3-bromofuran-2-yl)-1-phenylpropan-1-amine is NC(CCc1occc1Br)c1ccccc1.
What is the InChIKey of 3-(3-bromofuran-2-yl)-1-phenylpropan-1-amine?
The InChIKey is ZUBOZXQSSLLDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO/c14-11-8-9-16-13(11)7-6-12(15)10-4-2-1-3-5-10/h1-5,8-9,12H,6-7,15H2.
What are the key properties of 3-(3-bromofuran-2-yl)-1-phenylpropan-1-amine?
3-(3-bromofuran-2-yl)-1-phenylpropan-1-amine has a molecular weight of 280.16 g/mol, XLogP of 3.67, 4 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)-1-phenylpropan-1-amine is sourced from PubChem (CID 64502548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).