1-(4-bromo-2-fluorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-amine

C14H13BrF2N2 — CID 83125669

IUPAC1-(4-bromo-2-fluorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-amine
SMILESCC(N)(Cc1ccc(Br)cc1F)c1ccc(F)cn1
InChIInChI=1S/C14H13BrF2N2/c1-14(18,13-5-4-11(16)8-19-13)7-9-2-3-10(15)6-12(9)17/h2-6,8H,7,18H2,1H3
InChIKeyDCUAGZMPCBGQTQ-UHFFFAOYSA-N
MW327.17 g/mol
LogP3.54
Rot. Bonds3

About 1-(4-bromo-2-fluorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-amine

1-(4-bromo-2-fluorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-amine (PubChem CID 83125669) has the molecular formula C14H13BrF2N2 and a molecular weight of 327.17 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-amine
PubChem CID83125669
Molecular FormulaC14H13BrF2N2
Molecular Weight327.17 g/mol
Exact Mass326.02
IUPAC Name1-(4-bromo-2-fluorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-amine
SMILESCC(N)(Cc1ccc(Br)cc1F)c1ccc(F)cn1
InChIInChI=1S/C14H13BrF2N2/c1-14(18,13-5-4-11(16)8-19-13)7-9-2-3-10(15)6-12(9)17/h2-6,8H,7,18H2,1H3
InChIKeyDCUAGZMPCBGQTQ-UHFFFAOYSA-N
XLogP3.54
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-amine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-amine (CID 83125669) is 1-(4-bromo-2-fluorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-amine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-amine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-amine is CC(N)(Cc1ccc(Br)cc1F)c1ccc(F)cn1.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-amine?
The InChIKey is DCUAGZMPCBGQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrF2N2/c1-14(18,13-5-4-11(16)8-19-13)7-9-2-3-10(15)6-12(9)17/h2-6,8H,7,18H2,1H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-amine?
1-(4-bromo-2-fluorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-amine has a molecular weight of 327.17 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-amine is sourced from PubChem (CID 83125669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).