1-(4-bromophenyl)-2-(5-fluoro-2-pyridinyl)butan-2-amine

C15H16BrFN2 — CID 112585959

IUPAC1-(4-bromophenyl)-2-(5-fluoro-2-pyridinyl)butan-2-amine
SMILESCCC(N)(Cc1ccc(Br)cc1)c1ccc(F)cn1
InChIInChI=1S/C15H16BrFN2/c1-2-15(18,14-8-7-13(17)10-19-14)9-11-3-5-12(16)6-4-11/h3-8,10H,2,9,18H2,1H3
InChIKeyAVJUSOPTEJZNFF-UHFFFAOYSA-N
MW323.21 g/mol
LogP3.79
Rot. Bonds4

About 1-(4-bromophenyl)-2-(5-fluoro-2-pyridinyl)butan-2-amine

1-(4-bromophenyl)-2-(5-fluoro-2-pyridinyl)butan-2-amine (PubChem CID 112585959) has the molecular formula C15H16BrFN2 and a molecular weight of 323.21 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(5-fluoro-2-pyridinyl)butan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(5-fluoro-2-pyridinyl)butan-2-amine
PubChem CID112585959
Molecular FormulaC15H16BrFN2
Molecular Weight323.21 g/mol
Exact Mass322.05
IUPAC Name1-(4-bromophenyl)-2-(5-fluoro-2-pyridinyl)butan-2-amine
SMILESCCC(N)(Cc1ccc(Br)cc1)c1ccc(F)cn1
InChIInChI=1S/C15H16BrFN2/c1-2-15(18,14-8-7-13(17)10-19-14)9-11-3-5-12(16)6-4-11/h3-8,10H,2,9,18H2,1H3
InChIKeyAVJUSOPTEJZNFF-UHFFFAOYSA-N
XLogP3.79
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.21
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(5-fluoro-2-pyridinyl)butan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-2-(5-fluoro-2-pyridinyl)butan-2-amine (CID 112585959) is 1-(4-bromophenyl)-2-(5-fluoro-2-pyridinyl)butan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-2-(5-fluoro-2-pyridinyl)butan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-2-(5-fluoro-2-pyridinyl)butan-2-amine is CCC(N)(Cc1ccc(Br)cc1)c1ccc(F)cn1.
What is the InChIKey of 1-(4-bromophenyl)-2-(5-fluoro-2-pyridinyl)butan-2-amine?
The InChIKey is AVJUSOPTEJZNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2/c1-2-15(18,14-8-7-13(17)10-19-14)9-11-3-5-12(16)6-4-11/h3-8,10H,2,9,18H2,1H3.
What are the key properties of 1-(4-bromophenyl)-2-(5-fluoro-2-pyridinyl)butan-2-amine?
1-(4-bromophenyl)-2-(5-fluoro-2-pyridinyl)butan-2-amine has a molecular weight of 323.21 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(5-fluoro-2-pyridinyl)butan-2-amine is sourced from PubChem (CID 112585959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).