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

C17H20BrFN2 — CID 66447432

IUPAC1-(2-bromo-5-fluorophenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine
SMILESCCCNC(c1cc(F)ccc1Br)C(C)c1ccccn1
InChIInChI=1S/C17H20BrFN2/c1-3-9-21-17(12(2)16-6-4-5-10-20-16)14-11-13(19)7-8-15(14)18/h4-8,10-12,17,21H,3,9H2,1-2H3
InChIKeyQOUCEFDLHYSESB-UHFFFAOYSA-N
MW351.26 g/mol
LogP4.83
Rot. Bonds6

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

1-(2-bromo-5-fluorophenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine (PubChem CID 66447432) has the molecular formula C17H20BrFN2 and a molecular weight of 351.26 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine
PubChem CID66447432
Molecular FormulaC17H20BrFN2
Molecular Weight351.26 g/mol
Exact Mass350.08
IUPAC Name1-(2-bromo-5-fluorophenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine
SMILESCCCNC(c1cc(F)ccc1Br)C(C)c1ccccn1
InChIInChI=1S/C17H20BrFN2/c1-3-9-21-17(12(2)16-6-4-5-10-20-16)14-11-13(19)7-8-15(14)18/h4-8,10-12,17,21H,3,9H2,1-2H3
InChIKeyQOUCEFDLHYSESB-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-(2-bromo-5-methylphenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine
CID 81112033
1-(2-bromo-5-fluorophenyl)-2-pyridin-2-ylpropan-1-ol
CID 66459103
1-(2-bromophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine
CID 66446447
1-(3,4-difluorophenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine
CID 66447426
1-(2-methylfuran-3-yl)-N-propyl-2-pyridin-2-ylpropan-1-amine
CID 66448009
N-propyl-2-pyridin-2-yl-1-pyridin-4-ylpropan-1-amine
CID 66447627
N-ethyl-1-(2-fluorophenyl)-2-pyridin-2-ylpropan-1-amine
CID 66447023
1-(2,3-difluorophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine
CID 66447218
N-[(2-bromo-5-fluorophenyl)-(2,5-dibromophenyl)methyl]propan-1-amine
CID 43495349
N-propyl-2-pyridin-2-yl-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine
CID 66446839
N,4-dipropyl-2-pyridin-2-ylheptan-3-amine
CID 82987036
N-[(5-fluoro-2-methylphenyl)-pyridin-2-ylmethyl]ethanamine
CID 62791700

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine (CID 66447432) is 1-(2-bromo-5-fluorophenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine is CCCNC(c1cc(F)ccc1Br)C(C)c1ccccn1.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine?
The InChIKey is QOUCEFDLHYSESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrFN2/c1-3-9-21-17(12(2)16-6-4-5-10-20-16)14-11-13(19)7-8-15(14)18/h4-8,10-12,17,21H,3,9H2,1-2H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine?
1-(2-bromo-5-fluorophenyl)-N-propyl-2-pyridin-2-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-(2-bromo-5-fluorophenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine is sourced from PubChem (CID 66447432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).