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

C15H16BrFN2 — CID 104801496

IUPAC1-(5-bromo-2-pyridinyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1cccc(F)c1)Cc1ccc(Br)cn1
InChIInChI=1S/C15H16BrFN2/c1-18-15(8-11-3-2-4-13(17)7-11)9-14-6-5-12(16)10-19-14/h2-7,10,15,18H,8-9H2,1H3
InChIKeyYFXXTBVZSXMUHP-UHFFFAOYSA-N
MW323.21 g/mol
LogP3.36
Rot. Bonds5

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

1-(5-bromo-2-pyridinyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine (PubChem CID 104801496) has the molecular formula C15H16BrFN2 and a molecular weight of 323.21 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine
PubChem CID104801496
Molecular FormulaC15H16BrFN2
Molecular Weight323.21 g/mol
Exact Mass322.05
IUPAC Name1-(5-bromo-2-pyridinyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1cccc(F)c1)Cc1ccc(Br)cn1
InChIInChI=1S/C15H16BrFN2/c1-18-15(8-11-3-2-4-13(17)7-11)9-14-6-5-12(16)10-19-14/h2-7,10,15,18H,8-9H2,1H3
InChIKeyYFXXTBVZSXMUHP-UHFFFAOYSA-N
XLogP3.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.21
LogP ≤ 53.36
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
1-(5-bromo-2-pyridinyl)-3-(3,4-dimethylphenyl)-N-methylpropan-2-amine
CID 104801904
1-(5-bromo-2-fluorophenyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine
CID 62601970
1-(3,5-difluorophenyl)-3-(5-ethyl-2-pyridinyl)-N-methylpropan-2-amine
CID 79732696
1-(3-fluorophenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine
CID 107048702
1-(3-fluorophenyl)-3-(4-iodophenyl)-N-methylpropan-2-amine
CID 65476281
1-(5-bromo-2-pyridinyl)-N-methylheptan-2-amine
CID 105036421
1-(5-bromo-2-pyridinyl)-3-phenyl-N-propylpropan-2-amine
CID 104801214
2-[(5-bromo-2-pyridinyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 104810501
1-(2-chloro-4-methylphenyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine
CID 106867013
1-(5-ethyl-2-pyridinyl)-3-(3-methoxyphenyl)-N-methylpropan-2-amine
CID 79732394
1-(2,5-dimethylphenyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine
CID 61481696

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine (CID 104801496) is 1-(5-bromo-2-pyridinyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine is CNC(Cc1cccc(F)c1)Cc1ccc(Br)cn1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine?
The InChIKey is YFXXTBVZSXMUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2/c1-18-15(8-11-3-2-4-13(17)7-11)9-14-6-5-12(16)10-19-14/h2-7,10,15,18H,8-9H2,1H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine?
1-(5-bromo-2-pyridinyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine has a molecular weight of 323.21 g/mol, XLogP of 3.36, 5 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-(3-fluorophenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 104801496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).