1-(3-bromo-5-fluorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine

C17H20BrFN2 — CID 66446400

IUPAC1-(3-bromo-5-fluorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
SMILESCCCNC(c1cc(F)cc(Br)c1)C(C)c1ccncc1
InChIInChI=1S/C17H20BrFN2/c1-3-6-21-17(12(2)13-4-7-20-8-5-13)14-9-15(18)11-16(19)10-14/h4-5,7-12,17,21H,3,6H2,1-2H3
InChIKeyUHCGYTGLPQLEEG-UHFFFAOYSA-N
MW351.26 g/mol
LogP4.83
Rot. Bonds6

About 1-(3-bromo-5-fluorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine

1-(3-bromo-5-fluorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine (PubChem CID 66446400) has the molecular formula C17H20BrFN2 and a molecular weight of 351.26 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
PubChem CID66446400
Molecular FormulaC17H20BrFN2
Molecular Weight351.26 g/mol
Exact Mass350.08
IUPAC Name1-(3-bromo-5-fluorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
SMILESCCCNC(c1cc(F)cc(Br)c1)C(C)c1ccncc1
InChIInChI=1S/C17H20BrFN2/c1-3-6-21-17(12(2)13-4-7-20-8-5-13)14-9-15(18)11-16(19)10-14/h4-5,7-12,17,21H,3,6H2,1-2H3
InChIKeyUHCGYTGLPQLEEG-UHFFFAOYSA-N
XLogP4.83
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.26
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66447962
1-phenyl-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66448538
1-(3-bromo-5-methylphenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine
CID 104853272
1-(4-methylsulfanylphenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 79213623
1-(4-iodophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66446199
N-[(3-bromo-5-fluorophenyl)-(3,5-difluorophenyl)methyl]propan-1-amine
CID 66423866
1-(5-iodothiophen-3-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 79692893
1-(3-bromo-4-fluorophenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine
CID 107955410
N-[1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 104736468
1-(2,6-dichlorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66448152
1-(4,5-dimethylthiophen-2-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66446198
N-[1-(3-bromo-5-fluorophenyl)-2-methoxyethyl]propan-1-amine
CID 79574917

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine (CID 66446400) is 1-(3-bromo-5-fluorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine is CCCNC(c1cc(F)cc(Br)c1)C(C)c1ccncc1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine?
The InChIKey is UHCGYTGLPQLEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrFN2/c1-3-6-21-17(12(2)13-4-7-20-8-5-13)14-9-15(18)11-16(19)10-14/h4-5,7-12,17,21H,3,6H2,1-2H3.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine?
1-(3-bromo-5-fluorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine has a molecular weight of 351.26 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 66446400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).