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

C17H20BrFN2 — CID 62605292

IUPAC1-(2-bromo-5-fluorophenyl)-N-propyl-3-pyridin-4-ylpropan-2-amine
SMILESCCCNC(Cc1ccncc1)Cc1cc(F)ccc1Br
InChIInChI=1S/C17H20BrFN2/c1-2-7-21-16(10-13-5-8-20-9-6-13)12-14-11-15(19)3-4-17(14)18/h3-6,8-9,11,16,21H,2,7,10,12H2,1H3
InChIKeyKGILZCQMLUQYNP-UHFFFAOYSA-N
MW351.26 g/mol
LogP4.14
Rot. Bonds7

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

1-(2-bromo-5-fluorophenyl)-N-propyl-3-pyridin-4-ylpropan-2-amine (PubChem CID 62605292) 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-3-pyridin-4-ylpropan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-N-propyl-3-pyridin-4-ylpropan-2-amine
PubChem CID62605292
Molecular FormulaC17H20BrFN2
Molecular Weight351.26 g/mol
Exact Mass350.08
IUPAC Name1-(2-bromo-5-fluorophenyl)-N-propyl-3-pyridin-4-ylpropan-2-amine
SMILESCCCNC(Cc1ccncc1)Cc1cc(F)ccc1Br
InChIInChI=1S/C17H20BrFN2/c1-2-7-21-16(10-13-5-8-20-9-6-13)12-14-11-15(19)3-4-17(14)18/h3-6,8-9,11,16,21H,2,7,10,12H2,1H3
InChIKeyKGILZCQMLUQYNP-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-(2-bromo-5-fluorophenyl)-N-ethyl-3-pyridin-4-ylpropan-2-amine
CID 62603056
1-(5-chloro-2-fluorophenyl)-N-propyl-3-pyridin-4-ylpropan-2-amine
CID 103048600
4-(2-bromo-5-fluorophenyl)-3-methyl-N-propylbutan-2-amine
CID 54891354
1,3-bis(4-fluorophenyl)-N-propylpropan-2-amine
CID 60818688
1-(4-chloro-3-fluorophenyl)-N-propyl-3-pyridin-4-ylpropan-2-amine
CID 107884650
1-(2-bromo-4-fluorophenyl)-N-propylbutan-2-amine
CID 62601157
3-[(2-bromo-5-fluorophenyl)methyl]-N-propylpentan-2-amine
CID 63400302
1-(2-bromo-5-fluorophenyl)-3-(4-bromophenyl)-N-methylpropan-2-amine
CID 63412893
1-(2-bromo-5-fluorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine
CID 105136708
1-(2-bromophenyl)-3-phenyl-N-propylpropan-2-amine
CID 60817947
N-[2-(2-bromo-5-fluorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine
CID 65419774
1-(2-bromo-5-fluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
CID 62605376

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-N-propyl-3-pyridin-4-ylpropan-2-amine?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-N-propyl-3-pyridin-4-ylpropan-2-amine (CID 62605292) is 1-(2-bromo-5-fluorophenyl)-N-propyl-3-pyridin-4-ylpropan-2-amine.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-N-propyl-3-pyridin-4-ylpropan-2-amine?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-N-propyl-3-pyridin-4-ylpropan-2-amine is CCCNC(Cc1ccncc1)Cc1cc(F)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-N-propyl-3-pyridin-4-ylpropan-2-amine?
The InChIKey is KGILZCQMLUQYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrFN2/c1-2-7-21-16(10-13-5-8-20-9-6-13)12-14-11-15(19)3-4-17(14)18/h3-6,8-9,11,16,21H,2,7,10,12H2,1H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-N-propyl-3-pyridin-4-ylpropan-2-amine?
1-(2-bromo-5-fluorophenyl)-N-propyl-3-pyridin-4-ylpropan-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-(2-bromo-5-fluorophenyl)-N-propyl-3-pyridin-4-ylpropan-2-amine is sourced from PubChem (CID 62605292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).