1-(3-bromofuran-2-yl)-3-phenoxy-N-propylpropan-1-amine

C16H20BrNO2 — CID 63943410

IUPAC1-(3-bromofuran-2-yl)-3-phenoxy-N-propylpropan-1-amine
SMILESCCCNC(CCOc1ccccc1)c1occc1Br
InChIInChI=1S/C16H20BrNO2/c1-2-10-18-15(16-14(17)8-11-20-16)9-12-19-13-6-4-3-5-7-13/h3-8,11,15,18H,2,9-10,12H2,1H3
InChIKeyPGZOXZUSYNZJLV-UHFFFAOYSA-N
MW338.25 g/mol
LogP4.55
Rot. Bonds8

About 1-(3-bromofuran-2-yl)-3-phenoxy-N-propylpropan-1-amine

1-(3-bromofuran-2-yl)-3-phenoxy-N-propylpropan-1-amine (PubChem CID 63943410) has the molecular formula C16H20BrNO2 and a molecular weight of 338.25 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-3-phenoxy-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-3-phenoxy-N-propylpropan-1-amine
PubChem CID63943410
Molecular FormulaC16H20BrNO2
Molecular Weight338.25 g/mol
Exact Mass337.07
IUPAC Name1-(3-bromofuran-2-yl)-3-phenoxy-N-propylpropan-1-amine
SMILESCCCNC(CCOc1ccccc1)c1occc1Br
InChIInChI=1S/C16H20BrNO2/c1-2-10-18-15(16-14(17)8-11-20-16)9-12-19-13-6-4-3-5-7-13/h3-8,11,15,18H,2,9-10,12H2,1H3
InChIKeyPGZOXZUSYNZJLV-UHFFFAOYSA-N
XLogP4.55
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromofuran-2-yl)-3-(3-methylphenoxy)-N-propylpropan-1-amine
CID 105150714
1-(3-bromofuran-2-yl)-3-ethoxy-N-propylpropan-1-amine
CID 105150455
1-(3-bromofuran-2-yl)-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105150562
1-(3-bromofuran-2-yl)-N-ethyl-3-propoxypropan-1-amine
CID 105150512
N-[1-(3-bromofuran-2-yl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63944020
1-(3-bromofuran-2-yl)-N-propylbut-3-en-1-amine
CID 116660927
N-ethyl-1-(furan-3-yl)-3-phenoxypropan-1-amine
CID 63948564
1-(3-bromofuran-2-yl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine
CID 102928465
N-[1-(3-bromofuran-2-yl)-2-(4-chlorophenyl)ethyl]propan-1-amine
CID 63943030
1-(3-chlorothiophen-2-yl)-3-phenoxy-N-propylpropan-1-amine
CID 107359682
1-(5-methylthiophen-3-yl)-3-phenoxy-N-propylpropan-1-amine
CID 65104437
1-(1-methylpyrazol-3-yl)-3-phenoxy-N-propylpropan-1-amine
CID 103130748

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-3-phenoxy-N-propylpropan-1-amine?
The IUPAC name of 1-(3-bromofuran-2-yl)-3-phenoxy-N-propylpropan-1-amine (CID 63943410) is 1-(3-bromofuran-2-yl)-3-phenoxy-N-propylpropan-1-amine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-3-phenoxy-N-propylpropan-1-amine?
The canonical SMILES for 1-(3-bromofuran-2-yl)-3-phenoxy-N-propylpropan-1-amine is CCCNC(CCOc1ccccc1)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-3-phenoxy-N-propylpropan-1-amine?
The InChIKey is PGZOXZUSYNZJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO2/c1-2-10-18-15(16-14(17)8-11-20-16)9-12-19-13-6-4-3-5-7-13/h3-8,11,15,18H,2,9-10,12H2,1H3.
What are the key properties of 1-(3-bromofuran-2-yl)-3-phenoxy-N-propylpropan-1-amine?
1-(3-bromofuran-2-yl)-3-phenoxy-N-propylpropan-1-amine has a molecular weight of 338.25 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)-3-phenoxy-N-propylpropan-1-amine is sourced from PubChem (CID 63943410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).