3-(5-bromo-2-pyridinyl)-2-(2-fluorophenyl)-N-propylpropan-1-amine

C17H20BrFN2 — CID 104810862

IUPAC3-(5-bromo-2-pyridinyl)-2-(2-fluorophenyl)-N-propylpropan-1-amine
SMILESCCCNCC(Cc1ccc(Br)cn1)c1ccccc1F
InChIInChI=1S/C17H20BrFN2/c1-2-9-20-11-13(16-5-3-4-6-17(16)19)10-15-8-7-14(18)12-21-15/h3-8,12-13,20H,2,9-11H2,1H3
InChIKeyJXZMZTPLNHYFTA-UHFFFAOYSA-N
MW351.26 g/mol
LogP4.31
Rot. Bonds7

About 3-(5-bromo-2-pyridinyl)-2-(2-fluorophenyl)-N-propylpropan-1-amine

3-(5-bromo-2-pyridinyl)-2-(2-fluorophenyl)-N-propylpropan-1-amine (PubChem CID 104810862) has the molecular formula C17H20BrFN2 and a molecular weight of 351.26 g/mol. Its IUPAC name is 3-(5-bromo-2-pyridinyl)-2-(2-fluorophenyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-2-pyridinyl)-2-(2-fluorophenyl)-N-propylpropan-1-amine
PubChem CID104810862
Molecular FormulaC17H20BrFN2
Molecular Weight351.26 g/mol
Exact Mass350.08
IUPAC Name3-(5-bromo-2-pyridinyl)-2-(2-fluorophenyl)-N-propylpropan-1-amine
SMILESCCCNCC(Cc1ccc(Br)cn1)c1ccccc1F
InChIInChI=1S/C17H20BrFN2/c1-2-9-20-11-13(16-5-3-4-6-17(16)19)10-15-8-7-14(18)12-21-15/h3-8,12-13,20H,2,9-11H2,1H3
InChIKeyJXZMZTPLNHYFTA-UHFFFAOYSA-N
XLogP4.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.26
LogP ≤ 54.31
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

N-[2-(5-bromo-2-pyridinyl)-1-(2-fluorophenyl)ethyl]propan-1-amine
CID 104801976
N-[1-(2-bromo-3-fluorophenyl)-2-(5-bromo-2-pyridinyl)ethyl]propan-1-amine
CID 105036208
N-[1-(3-bromo-2-fluorophenyl)-2-(5-bromo-2-pyridinyl)ethyl]propan-1-amine
CID 107953636
3-ethoxy-2-(2-fluorophenyl)-N-propylpropan-1-amine
CID 103984843
N-[3-(5-bromo-2-pyridinyl)-2-phenylpropyl]-2-methylpropan-1-amine
CID 104810744
1-(5-bromo-2-pyridinyl)-3-phenyl-N-propylpropan-2-amine
CID 104801214
2-(2-fluorophenyl)-5-methoxy-N-propylpentan-1-amine
CID 79439292
2-(2-fluorophenyl)-4-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine
CID 103014722
3-(2-fluorophenyl)-4-(hexylamino)butanal
CID 170080548
2-(2-bromophenyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-1-amine
CID 107053492
N-[1-(2-bromo-4-fluorophenyl)-2-(5-bromo-2-pyridinyl)ethyl]propan-1-amine
CID 105036047
3-(cyclopropylmethoxy)-2-(2-fluorophenyl)-N-propylpropan-1-amine
CID 106930922

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-pyridinyl)-2-(2-fluorophenyl)-N-propylpropan-1-amine?
The IUPAC name of 3-(5-bromo-2-pyridinyl)-2-(2-fluorophenyl)-N-propylpropan-1-amine (CID 104810862) is 3-(5-bromo-2-pyridinyl)-2-(2-fluorophenyl)-N-propylpropan-1-amine.
What is the SMILES notation for 3-(5-bromo-2-pyridinyl)-2-(2-fluorophenyl)-N-propylpropan-1-amine?
The canonical SMILES for 3-(5-bromo-2-pyridinyl)-2-(2-fluorophenyl)-N-propylpropan-1-amine is CCCNCC(Cc1ccc(Br)cn1)c1ccccc1F.
What is the InChIKey of 3-(5-bromo-2-pyridinyl)-2-(2-fluorophenyl)-N-propylpropan-1-amine?
The InChIKey is JXZMZTPLNHYFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrFN2/c1-2-9-20-11-13(16-5-3-4-6-17(16)19)10-15-8-7-14(18)12-21-15/h3-8,12-13,20H,2,9-11H2,1H3.
What are the key properties of 3-(5-bromo-2-pyridinyl)-2-(2-fluorophenyl)-N-propylpropan-1-amine?
3-(5-bromo-2-pyridinyl)-2-(2-fluorophenyl)-N-propylpropan-1-amine has a molecular weight of 351.26 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-pyridinyl)-2-(2-fluorophenyl)-N-propylpropan-1-amine is sourced from PubChem (CID 104810862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).