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

C17H21BrN2 — CID 104801214

IUPAC1-(5-bromo-2-pyridinyl)-3-phenyl-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccccc1)Cc1ccc(Br)cn1
InChIInChI=1S/C17H21BrN2/c1-2-10-19-17(11-14-6-4-3-5-7-14)12-16-9-8-15(18)13-20-16/h3-9,13,17,19H,2,10-12H2,1H3
InChIKeyIDTXGVQRYODNBY-UHFFFAOYSA-N
MW333.27 g/mol
LogP4.00
Rot. Bonds7

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

1-(5-bromo-2-pyridinyl)-3-phenyl-N-propylpropan-2-amine (PubChem CID 104801214) has the molecular formula C17H21BrN2 and a molecular weight of 333.27 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-3-phenyl-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-3-phenyl-N-propylpropan-2-amine
PubChem CID104801214
Molecular FormulaC17H21BrN2
Molecular Weight333.27 g/mol
Exact Mass332.09
IUPAC Name1-(5-bromo-2-pyridinyl)-3-phenyl-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccccc1)Cc1ccc(Br)cn1
InChIInChI=1S/C17H21BrN2/c1-2-10-19-17(11-14-6-4-3-5-7-14)12-16-9-8-15(18)13-20-16/h3-9,13,17,19H,2,10-12H2,1H3
InChIKeyIDTXGVQRYODNBY-UHFFFAOYSA-N
XLogP4.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-pyridinyl)-3-(3-fluorophenyl)-N-propylpropan-2-amine
CID 104801503
3-(5-bromo-2-pyridinyl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
CID 113455051
3-(5-bromo-2-pyridinyl)-2-methyl-1-phenyl-N-propylpropan-1-amine
CID 104845549
1-(5-bromo-2-pyridinyl)-N-propylnonan-2-amine
CID 105036225
1-(5-bromo-2-pyridinyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine
CID 104801767
1,3-bis(4-bromophenyl)-N-propylpropan-2-amine
CID 60818661
1-(5-bromo-2-pyridinyl)-3-cyclohexyl-N-propylpropan-2-amine
CID 105036172
N-[2-(5-bromo-2-pyridinyl)-1-(2-fluorophenyl)ethyl]propan-1-amine
CID 104801976
1-(2-bromophenyl)-3-phenyl-N-propylpropan-2-amine
CID 60817947
N-[2-(5-bromo-2-pyridinyl)-1-(2-methylfuran-3-yl)ethyl]propan-1-amine
CID 104804098
1-(4-bromophenyl)sulfanyl-3-phenyl-N-propylpropan-2-amine
CID 66055714
1-(5-bromo-2-pyridinyl)-3-(3-ethoxycyclobutyl)-N-propylpropan-2-amine
CID 103169479

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-3-phenyl-N-propylpropan-2-amine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-3-phenyl-N-propylpropan-2-amine (CID 104801214) is 1-(5-bromo-2-pyridinyl)-3-phenyl-N-propylpropan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-3-phenyl-N-propylpropan-2-amine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-3-phenyl-N-propylpropan-2-amine is CCCNC(Cc1ccccc1)Cc1ccc(Br)cn1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-3-phenyl-N-propylpropan-2-amine?
The InChIKey is IDTXGVQRYODNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2/c1-2-10-19-17(11-14-6-4-3-5-7-14)12-16-9-8-15(18)13-20-16/h3-9,13,17,19H,2,10-12H2,1H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-3-phenyl-N-propylpropan-2-amine?
1-(5-bromo-2-pyridinyl)-3-phenyl-N-propylpropan-2-amine has a molecular weight of 333.27 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-3-phenyl-N-propylpropan-2-amine is sourced from PubChem (CID 104801214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).