1-(5-bromofuran-2-yl)-N-methyl-3-phenylpropan-1-amine

C14H16BrNO — CID 115793920

IUPAC1-(5-bromofuran-2-yl)-N-methyl-3-phenylpropan-1-amine
SMILESCNC(CCc1ccccc1)c1ccc(Br)o1
InChIInChI=1S/C14H16BrNO/c1-16-12(13-9-10-14(15)17-13)8-7-11-5-3-2-4-6-11/h2-6,9-10,12,16H,7-8H2,1H3
InChIKeyUHXWPCIAQUOOQZ-UHFFFAOYSA-N
MW294.19 g/mol
LogP3.94
Rot. Bonds5

About 1-(5-bromofuran-2-yl)-N-methyl-3-phenylpropan-1-amine

1-(5-bromofuran-2-yl)-N-methyl-3-phenylpropan-1-amine (PubChem CID 115793920) has the molecular formula C14H16BrNO and a molecular weight of 294.19 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-N-methyl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-N-methyl-3-phenylpropan-1-amine
PubChem CID115793920
Molecular FormulaC14H16BrNO
Molecular Weight294.19 g/mol
Exact Mass293.04
IUPAC Name1-(5-bromofuran-2-yl)-N-methyl-3-phenylpropan-1-amine
SMILESCNC(CCc1ccccc1)c1ccc(Br)o1
InChIInChI=1S/C14H16BrNO/c1-16-12(13-9-10-14(15)17-13)8-7-11-5-3-2-4-6-11/h2-6,9-10,12,16H,7-8H2,1H3
InChIKeyUHXWPCIAQUOOQZ-UHFFFAOYSA-N
XLogP3.94
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-N-methyl-3-phenylpropan-1-amine?
The IUPAC name of 1-(5-bromofuran-2-yl)-N-methyl-3-phenylpropan-1-amine (CID 115793920) is 1-(5-bromofuran-2-yl)-N-methyl-3-phenylpropan-1-amine.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-N-methyl-3-phenylpropan-1-amine?
The canonical SMILES for 1-(5-bromofuran-2-yl)-N-methyl-3-phenylpropan-1-amine is CNC(CCc1ccccc1)c1ccc(Br)o1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-N-methyl-3-phenylpropan-1-amine?
The InChIKey is UHXWPCIAQUOOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO/c1-16-12(13-9-10-14(15)17-13)8-7-11-5-3-2-4-6-11/h2-6,9-10,12,16H,7-8H2,1H3.
What are the key properties of 1-(5-bromofuran-2-yl)-N-methyl-3-phenylpropan-1-amine?
1-(5-bromofuran-2-yl)-N-methyl-3-phenylpropan-1-amine has a molecular weight of 294.19 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)-N-methyl-3-phenylpropan-1-amine is sourced from PubChem (CID 115793920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).