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

C17H22BrNO2 — CID 105150714

IUPAC1-(3-bromofuran-2-yl)-3-(3-methylphenoxy)-N-propylpropan-1-amine
SMILESCCCNC(CCOc1cccc(C)c1)c1occc1Br
InChIInChI=1S/C17H22BrNO2/c1-3-9-19-16(17-15(18)7-10-21-17)8-11-20-14-6-4-5-13(2)12-14/h4-7,10,12,16,19H,3,8-9,11H2,1-2H3
InChIKeyIFTJTATVCYBUHC-UHFFFAOYSA-N
MW352.27 g/mol
LogP4.86
Rot. Bonds8

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

1-(3-bromofuran-2-yl)-3-(3-methylphenoxy)-N-propylpropan-1-amine (PubChem CID 105150714) has the molecular formula C17H22BrNO2 and a molecular weight of 352.27 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-3-(3-methylphenoxy)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-3-(3-methylphenoxy)-N-propylpropan-1-amine
PubChem CID105150714
Molecular FormulaC17H22BrNO2
Molecular Weight352.27 g/mol
Exact Mass351.08
IUPAC Name1-(3-bromofuran-2-yl)-3-(3-methylphenoxy)-N-propylpropan-1-amine
SMILESCCCNC(CCOc1cccc(C)c1)c1occc1Br
InChIInChI=1S/C17H22BrNO2/c1-3-9-19-16(17-15(18)7-10-21-17)8-11-20-14-6-4-5-13(2)12-14/h4-7,10,12,16,19H,3,8-9,11H2,1-2H3
InChIKeyIFTJTATVCYBUHC-UHFFFAOYSA-N
XLogP4.86
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromofuran-2-yl)-3-phenoxy-N-propylpropan-1-amine
CID 63943410
1-(3-bromofuran-2-yl)-3-ethoxy-N-propylpropan-1-amine
CID 105150455
3-(3-methylphenoxy)-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 105155679
3-(3-methylphenoxy)-N-propyl-1-pyrazin-2-ylpropan-1-amine
CID 105150138
N-[(3-bromofuran-2-yl)-(3-methylphenyl)methyl]propan-1-amine
CID 63941663
1-(4-bromothiophen-3-yl)-N-ethyl-3-(3-methylphenoxy)propan-1-amine
CID 105166777
4-methyl-1-(3-methylphenoxy)-N-propylheptan-3-amine
CID 107893363
1-(3-bromofuran-2-yl)-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105150562
6-methoxy-4-methyl-1-(3-methylphenoxy)-N-propylhexan-3-amine
CID 105185190
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

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-3-(3-methylphenoxy)-N-propylpropan-1-amine?
The IUPAC name of 1-(3-bromofuran-2-yl)-3-(3-methylphenoxy)-N-propylpropan-1-amine (CID 105150714) is 1-(3-bromofuran-2-yl)-3-(3-methylphenoxy)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-3-(3-methylphenoxy)-N-propylpropan-1-amine?
The canonical SMILES for 1-(3-bromofuran-2-yl)-3-(3-methylphenoxy)-N-propylpropan-1-amine is CCCNC(CCOc1cccc(C)c1)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-3-(3-methylphenoxy)-N-propylpropan-1-amine?
The InChIKey is IFTJTATVCYBUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNO2/c1-3-9-19-16(17-15(18)7-10-21-17)8-11-20-14-6-4-5-13(2)12-14/h4-7,10,12,16,19H,3,8-9,11H2,1-2H3.
What are the key properties of 1-(3-bromofuran-2-yl)-3-(3-methylphenoxy)-N-propylpropan-1-amine?
1-(3-bromofuran-2-yl)-3-(3-methylphenoxy)-N-propylpropan-1-amine has a molecular weight of 352.27 g/mol, XLogP of 4.86, 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-(3-methylphenoxy)-N-propylpropan-1-amine is sourced from PubChem (CID 105150714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).