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

C17H20BrFN2 — CID 104810835

IUPAC3-(5-bromo-3-pyridinyl)-2-(3-fluorophenyl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(Cc1cncc(Br)c1)c1cccc(F)c1
InChIInChI=1S/C17H20BrFN2/c1-12(2)21-10-15(14-4-3-5-17(19)8-14)6-13-7-16(18)11-20-9-13/h3-5,7-9,11-12,15,21H,6,10H2,1-2H3
InChIKeyPZNUYOFYCPETGM-UHFFFAOYSA-N
MW351.26 g/mol
LogP4.31
Rot. Bonds6

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

3-(5-bromo-3-pyridinyl)-2-(3-fluorophenyl)-N-propan-2-ylpropan-1-amine (PubChem CID 104810835) has the molecular formula C17H20BrFN2 and a molecular weight of 351.26 g/mol. Its IUPAC name is 3-(5-bromo-3-pyridinyl)-2-(3-fluorophenyl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-3-pyridinyl)-2-(3-fluorophenyl)-N-propan-2-ylpropan-1-amine
PubChem CID104810835
Molecular FormulaC17H20BrFN2
Molecular Weight351.26 g/mol
Exact Mass350.08
IUPAC Name3-(5-bromo-3-pyridinyl)-2-(3-fluorophenyl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(Cc1cncc(Br)c1)c1cccc(F)c1
InChIInChI=1S/C17H20BrFN2/c1-12(2)21-10-15(14-4-3-5-17(19)8-14)6-13-7-16(18)11-20-9-13/h3-5,7-9,11-12,15,21H,6,10H2,1-2H3
InChIKeyPZNUYOFYCPETGM-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-bromo-3-pyridinyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine
CID 104810803
2-(3-fluorophenyl)-4-methyl-N-propan-2-ylpentan-1-amine
CID 79440674
3-(3-bromophenyl)-N-ethyl-2-(3-fluorophenyl)propan-1-amine
CID 79440215
1-(5-bromo-3-pyridinyl)-3-(3-fluorophenyl)-N-propylpropan-2-amine
CID 104801501
2-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylpropan-1-amine
CID 79441055
2-(3-bromophenyl)-3-(5-bromo-3-pyridinyl)propan-1-ol
CID 104813203
2-(3-fluorophenyl)-5-methylsulfonyl-N-propan-2-ylpentan-1-amine
CID 79440058
3-bromo-5-[3-chloro-2-(4-fluorophenyl)propyl]pyridine
CID 113456105
3-(5-bromo-3-pyridinyl)-N,2-dimethylpropan-1-amine
CID 104810425
2-(5-bromo-3-pyridinyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 105181176
2-(3-fluorophenyl)-4-(2-methylpyrazol-3-yl)-N-propan-2-ylbutan-1-amine
CID 103014694
(1R)-1-(3-bromophenyl)-N-[(5-bromo-3-pyridinyl)methyl]ethanamine
CID 104797063

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-3-pyridinyl)-2-(3-fluorophenyl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(5-bromo-3-pyridinyl)-2-(3-fluorophenyl)-N-propan-2-ylpropan-1-amine (CID 104810835) is 3-(5-bromo-3-pyridinyl)-2-(3-fluorophenyl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(5-bromo-3-pyridinyl)-2-(3-fluorophenyl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(5-bromo-3-pyridinyl)-2-(3-fluorophenyl)-N-propan-2-ylpropan-1-amine is CC(C)NCC(Cc1cncc(Br)c1)c1cccc(F)c1.
What is the InChIKey of 3-(5-bromo-3-pyridinyl)-2-(3-fluorophenyl)-N-propan-2-ylpropan-1-amine?
The InChIKey is PZNUYOFYCPETGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrFN2/c1-12(2)21-10-15(14-4-3-5-17(19)8-14)6-13-7-16(18)11-20-9-13/h3-5,7-9,11-12,15,21H,6,10H2,1-2H3.
What are the key properties of 3-(5-bromo-3-pyridinyl)-2-(3-fluorophenyl)-N-propan-2-ylpropan-1-amine?
3-(5-bromo-3-pyridinyl)-2-(3-fluorophenyl)-N-propan-2-ylpropan-1-amine has a molecular weight of 351.26 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-3-pyridinyl)-2-(3-fluorophenyl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 104810835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).