1-(3-bromofuran-2-yl)-4-methoxy-3-methyl-N-propylbutan-1-amine

C13H22BrNO2 — CID 105150562

IUPAC1-(3-bromofuran-2-yl)-4-methoxy-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)COC)c1occc1Br
InChIInChI=1S/C13H22BrNO2/c1-4-6-15-12(8-10(2)9-16-3)13-11(14)5-7-17-13/h5,7,10,12,15H,4,6,8-9H2,1-3H3
InChIKeyCYRKSOOTTKWORQ-UHFFFAOYSA-N
MW304.23 g/mol
LogP3.76
Rot. Bonds8

About 1-(3-bromofuran-2-yl)-4-methoxy-3-methyl-N-propylbutan-1-amine

1-(3-bromofuran-2-yl)-4-methoxy-3-methyl-N-propylbutan-1-amine (PubChem CID 105150562) has the molecular formula C13H22BrNO2 and a molecular weight of 304.23 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-4-methoxy-3-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-4-methoxy-3-methyl-N-propylbutan-1-amine
PubChem CID105150562
Molecular FormulaC13H22BrNO2
Molecular Weight304.23 g/mol
Exact Mass303.08
IUPAC Name1-(3-bromofuran-2-yl)-4-methoxy-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)COC)c1occc1Br
InChIInChI=1S/C13H22BrNO2/c1-4-6-15-12(8-10(2)9-16-3)13-11(14)5-7-17-13/h5,7,10,12,15H,4,6,8-9H2,1-3H3
InChIKeyCYRKSOOTTKWORQ-UHFFFAOYSA-N
XLogP3.76
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromofuran-2-yl)-3-ethoxy-N-propylpropan-1-amine
CID 105150455
1-(3-bromofuran-2-yl)-N-propylbut-3-en-1-amine
CID 116660927
1-(3-bromofuran-2-yl)-3-phenoxy-N-propylpropan-1-amine
CID 63943410
[1-(3-bromofuran-2-yl)-2-methoxyethyl]hydrazine
CID 105207395
N-[1-(3-bromofuran-2-yl)-2-(4-chlorophenyl)ethyl]propan-1-amine
CID 63943030
[1-(3-bromofuran-2-yl)-3-methylpentyl]hydrazine
CID 105309164
N-[1-(3-bromofuran-2-yl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63944020
N-[1-(3-bromofuran-2-yl)-2-(4-bromophenyl)sulfanylethyl]propan-1-amine
CID 66054930
1-(3-bromofuran-2-yl)-3-(3-methylphenoxy)-N-propylpropan-1-amine
CID 105150714
1-(3-bromofuran-2-yl)-2-ethoxy-3-methyl-N-propylbutan-1-amine
CID 116721618
1-(3-bromofuran-2-yl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine
CID 102928465
N-[1-(3-bromofuran-2-yl)-2-(4-chlorophenyl)sulfanylethyl]propan-1-amine
CID 66145552

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-4-methoxy-3-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-(3-bromofuran-2-yl)-4-methoxy-3-methyl-N-propylbutan-1-amine (CID 105150562) is 1-(3-bromofuran-2-yl)-4-methoxy-3-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-4-methoxy-3-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(3-bromofuran-2-yl)-4-methoxy-3-methyl-N-propylbutan-1-amine is CCCNC(CC(C)COC)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-4-methoxy-3-methyl-N-propylbutan-1-amine?
The InChIKey is CYRKSOOTTKWORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrNO2/c1-4-6-15-12(8-10(2)9-16-3)13-11(14)5-7-17-13/h5,7,10,12,15H,4,6,8-9H2,1-3H3.
What are the key properties of 1-(3-bromofuran-2-yl)-4-methoxy-3-methyl-N-propylbutan-1-amine?
1-(3-bromofuran-2-yl)-4-methoxy-3-methyl-N-propylbutan-1-amine has a molecular weight of 304.23 g/mol, XLogP of 3.76, 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)-4-methoxy-3-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 105150562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).