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

C16H20BrNO — CID 106856969

IUPAC1-(2-bromofuran-3-yl)-3-phenyl-N-propylpropan-1-amine
SMILESCCCNC(CCc1ccccc1)c1ccoc1Br
InChIInChI=1S/C16H20BrNO/c1-2-11-18-15(14-10-12-19-16(14)17)9-8-13-6-4-3-5-7-13/h3-7,10,12,15,18H,2,8-9,11H2,1H3
InChIKeyBAZYEOZWYXPRSX-UHFFFAOYSA-N
MW322.25 g/mol
LogP4.72
Rot. Bonds7

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

1-(2-bromofuran-3-yl)-3-phenyl-N-propylpropan-1-amine (PubChem CID 106856969) has the molecular formula C16H20BrNO and a molecular weight of 322.25 g/mol. Its IUPAC name is 1-(2-bromofuran-3-yl)-3-phenyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(2-bromofuran-3-yl)-3-phenyl-N-propylpropan-1-amine
PubChem CID106856969
Molecular FormulaC16H20BrNO
Molecular Weight322.25 g/mol
Exact Mass321.07
IUPAC Name1-(2-bromofuran-3-yl)-3-phenyl-N-propylpropan-1-amine
SMILESCCCNC(CCc1ccccc1)c1ccoc1Br
InChIInChI=1S/C16H20BrNO/c1-2-11-18-15(14-10-12-19-16(14)17)9-8-13-6-4-3-5-7-13/h3-7,10,12,15,18H,2,8-9,11H2,1H3
InChIKeyBAZYEOZWYXPRSX-UHFFFAOYSA-N
XLogP4.72
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-bromofuran-3-yl)-3-phenyl-N-propylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-bromofuran-3-yl)-N-propylhexan-1-amine
CID 106857248
1-(2-bromofuran-3-yl)-3-ethyl-N-propylpentan-1-amine
CID 106858445
1-(2-bromofuran-3-yl)-N-ethylbutan-1-amine
CID 106856875
N-[1-(2-bromofuran-3-yl)-2-thiophen-2-ylethyl]propan-1-amine
CID 106854675
N-[1-(2-bromofuran-3-yl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine
CID 106854725
N-[2-(2-bromo-3-fluorophenyl)-1-(2-bromofuran-3-yl)ethyl]propan-1-amine
CID 106858311
N-[1-(2-bromofuran-3-yl)-2-(2-chloro-3-fluorophenyl)ethyl]propan-1-amine
CID 106858502
1-(3-chloro-2-methylphenyl)-3-phenyl-N-propylpropan-1-amine
CID 107102031
1-(2-chloro-3-methylphenyl)-3-phenyl-N-propylpropan-1-amine
CID 115794374
1-(5-bromothiophen-3-yl)-3-phenyl-N-propylpropan-1-amine
CID 105094339
1-(4,5-dibromothiophen-2-yl)-3-phenyl-N-propylpropan-1-amine
CID 115793519
1-(4-fluoro-2-methylphenyl)-3-phenyl-N-propylpropan-1-amine
CID 63417221

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromofuran-3-yl)-3-phenyl-N-propylpropan-1-amine?
The IUPAC name of 1-(2-bromofuran-3-yl)-3-phenyl-N-propylpropan-1-amine (CID 106856969) is 1-(2-bromofuran-3-yl)-3-phenyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(2-bromofuran-3-yl)-3-phenyl-N-propylpropan-1-amine?
The canonical SMILES for 1-(2-bromofuran-3-yl)-3-phenyl-N-propylpropan-1-amine is CCCNC(CCc1ccccc1)c1ccoc1Br.
What is the InChIKey of 1-(2-bromofuran-3-yl)-3-phenyl-N-propylpropan-1-amine?
The InChIKey is BAZYEOZWYXPRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO/c1-2-11-18-15(14-10-12-19-16(14)17)9-8-13-6-4-3-5-7-13/h3-7,10,12,15,18H,2,8-9,11H2,1H3.
What are the key properties of 1-(2-bromofuran-3-yl)-3-phenyl-N-propylpropan-1-amine?
1-(2-bromofuran-3-yl)-3-phenyl-N-propylpropan-1-amine has a molecular weight of 322.25 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromofuran-3-yl)-3-phenyl-N-propylpropan-1-amine is sourced from PubChem (CID 106856969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).