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

C16H20BrNS — CID 65431914

IUPAC3-(3-bromothiophen-2-yl)-2-phenyl-N-propylpropan-1-amine
SMILESCCCNCC(Cc1sccc1Br)c1ccccc1
InChIInChI=1S/C16H20BrNS/c1-2-9-18-12-14(13-6-4-3-5-7-13)11-16-15(17)8-10-19-16/h3-8,10,14,18H,2,9,11-12H2,1H3
InChIKeyXQAJHCCUHXIGFO-UHFFFAOYSA-N
MW338.31 g/mol
LogP4.84
Rot. Bonds7

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

3-(3-bromothiophen-2-yl)-2-phenyl-N-propylpropan-1-amine (PubChem CID 65431914) has the molecular formula C16H20BrNS and a molecular weight of 338.31 g/mol. Its IUPAC name is 3-(3-bromothiophen-2-yl)-2-phenyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(3-bromothiophen-2-yl)-2-phenyl-N-propylpropan-1-amine
PubChem CID65431914
Molecular FormulaC16H20BrNS
Molecular Weight338.31 g/mol
Exact Mass337.05
IUPAC Name3-(3-bromothiophen-2-yl)-2-phenyl-N-propylpropan-1-amine
SMILESCCCNCC(Cc1sccc1Br)c1ccccc1
InChIInChI=1S/C16H20BrNS/c1-2-9-18-12-14(13-6-4-3-5-7-13)11-16-15(17)8-10-19-16/h3-8,10,14,18H,2,9,11-12H2,1H3
InChIKeyXQAJHCCUHXIGFO-UHFFFAOYSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.31
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-methylthiophen-2-yl)-2-phenyl-N-propylpropan-1-amine
CID 81024674
3-(4-bromophenyl)-2-phenyl-N-propylpropan-1-amine
CID 65429859
3-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)-N-ethylpropan-1-amine
CID 79443317
3-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)-N-methylpropan-1-amine
CID 79442587
N-[3-(3-bromothiophen-2-yl)-2-(4-chlorophenyl)propyl]-2-methylpropan-1-amine
CID 79432398
2-[(3-bromothiophen-2-yl)methyl]-3-(3-fluorophenyl)-N-propylpropan-1-amine
CID 63521377
3-(3-bromothiophen-2-yl)-2-(2-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine
CID 79436792
N-[2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethyl]propan-1-amine
CID 62602066
3-(3-bromothiophen-2-yl)-N-propylpropan-1-amine
CID 62530405
3-methoxy-2-phenyl-N-propylpropan-1-amine
CID 103984694
N-[2-(3-bromothiophen-2-yl)-1-thiophen-2-ylethyl]propan-1-amine
CID 62608324
2-[(2-bromophenyl)methyl]-3-(3-bromothiophen-2-yl)-N-methylpropan-1-amine
CID 63521959

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromothiophen-2-yl)-2-phenyl-N-propylpropan-1-amine?
The IUPAC name of 3-(3-bromothiophen-2-yl)-2-phenyl-N-propylpropan-1-amine (CID 65431914) is 3-(3-bromothiophen-2-yl)-2-phenyl-N-propylpropan-1-amine.
What is the SMILES notation for 3-(3-bromothiophen-2-yl)-2-phenyl-N-propylpropan-1-amine?
The canonical SMILES for 3-(3-bromothiophen-2-yl)-2-phenyl-N-propylpropan-1-amine is CCCNCC(Cc1sccc1Br)c1ccccc1.
What is the InChIKey of 3-(3-bromothiophen-2-yl)-2-phenyl-N-propylpropan-1-amine?
The InChIKey is XQAJHCCUHXIGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNS/c1-2-9-18-12-14(13-6-4-3-5-7-13)11-16-15(17)8-10-19-16/h3-8,10,14,18H,2,9,11-12H2,1H3.
What are the key properties of 3-(3-bromothiophen-2-yl)-2-phenyl-N-propylpropan-1-amine?
3-(3-bromothiophen-2-yl)-2-phenyl-N-propylpropan-1-amine has a molecular weight of 338.31 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromothiophen-2-yl)-2-phenyl-N-propylpropan-1-amine is sourced from PubChem (CID 65431914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).