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

C17H20BrFN2 — CID 104801501

IUPAC1-(5-bromo-3-pyridinyl)-3-(3-fluorophenyl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1cccc(F)c1)Cc1cncc(Br)c1
InChIInChI=1S/C17H20BrFN2/c1-2-6-21-17(9-13-4-3-5-16(19)8-13)10-14-7-15(18)12-20-11-14/h3-5,7-8,11-12,17,21H,2,6,9-10H2,1H3
InChIKeyULGZYBJEFGAYRS-UHFFFAOYSA-N
MW351.26 g/mol
LogP4.14
Rot. Bonds7

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

1-(5-bromo-3-pyridinyl)-3-(3-fluorophenyl)-N-propylpropan-2-amine (PubChem CID 104801501) has the molecular formula C17H20BrFN2 and a molecular weight of 351.26 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-3-(3-fluorophenyl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-3-(3-fluorophenyl)-N-propylpropan-2-amine
PubChem CID104801501
Molecular FormulaC17H20BrFN2
Molecular Weight351.26 g/mol
Exact Mass350.08
IUPAC Name1-(5-bromo-3-pyridinyl)-3-(3-fluorophenyl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1cccc(F)c1)Cc1cncc(Br)c1
InChIInChI=1S/C17H20BrFN2/c1-2-6-21-17(9-13-4-3-5-16(19)8-13)10-14-7-15(18)12-20-11-14/h3-5,7-8,11-12,17,21H,2,6,9-10H2,1H3
InChIKeyULGZYBJEFGAYRS-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 62552908
1-(5-bromo-2-pyridinyl)-3-(3-fluorophenyl)-N-propylpropan-2-amine
CID 104801503
1-(3-bromophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 62552254
1-(3-fluorophenyl)-3-(3-methylphenyl)-N-propylpropan-2-amine
CID 63417000
1-(3-fluorophenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642847
1-(5-bromo-3-pyridinyl)-N-propyldecan-2-amine
CID 105036606
N-[2-(5-bromo-3-pyridinyl)-1-(5-fluoro-2-methylphenyl)ethyl]propan-1-amine
CID 104801776
1-(3-bromo-5-fluorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
CID 79699790
N-[1-(3-bromo-2-fluorophenyl)-2-(5-bromo-3-pyridinyl)ethyl]propan-1-amine
CID 107953643
1-(5-bromo-3-pyridinyl)-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine
CID 104802361
1-(5-bromo-3-pyridinyl)-N-propyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148756
1-(5-bromo-3-pyridinyl)-3-(2-chloro-6-fluorophenyl)-N-ethylpropan-2-amine
CID 104801929

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-3-(3-fluorophenyl)-N-propylpropan-2-amine?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-3-(3-fluorophenyl)-N-propylpropan-2-amine (CID 104801501) is 1-(5-bromo-3-pyridinyl)-3-(3-fluorophenyl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-3-(3-fluorophenyl)-N-propylpropan-2-amine?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-3-(3-fluorophenyl)-N-propylpropan-2-amine is CCCNC(Cc1cccc(F)c1)Cc1cncc(Br)c1.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-3-(3-fluorophenyl)-N-propylpropan-2-amine?
The InChIKey is ULGZYBJEFGAYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrFN2/c1-2-6-21-17(9-13-4-3-5-16(19)8-13)10-14-7-15(18)12-20-11-14/h3-5,7-8,11-12,17,21H,2,6,9-10H2,1H3.
What are the key properties of 1-(5-bromo-3-pyridinyl)-3-(3-fluorophenyl)-N-propylpropan-2-amine?
1-(5-bromo-3-pyridinyl)-3-(3-fluorophenyl)-N-propylpropan-2-amine has a molecular weight of 351.26 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-3-(3-fluorophenyl)-N-propylpropan-2-amine is sourced from PubChem (CID 104801501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).