5-bromo-N-[1-(4-fluorophenyl)propan-2-yl]pyridin-3-amine

C14H14BrFN2 — CID 113243712

IUPAC5-bromo-N-[1-(4-fluorophenyl)propan-2-yl]pyridin-3-amine
SMILESCC(Cc1ccc(F)cc1)Nc1cncc(Br)c1
InChIInChI=1S/C14H14BrFN2/c1-10(6-11-2-4-13(16)5-3-11)18-14-7-12(15)8-17-9-14/h2-5,7-10,18H,6H2,1H3
InChIKeyOQBFOLGQQNZADS-UHFFFAOYSA-N
MW309.18 g/mol
LogP4.03
Rot. Bonds4

About 5-bromo-N-[1-(4-fluorophenyl)propan-2-yl]pyridin-3-amine

5-bromo-N-[1-(4-fluorophenyl)propan-2-yl]pyridin-3-amine (PubChem CID 113243712) has the molecular formula C14H14BrFN2 and a molecular weight of 309.18 g/mol. Its IUPAC name is 5-bromo-N-[1-(4-fluorophenyl)propan-2-yl]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-[1-(4-fluorophenyl)propan-2-yl]pyridin-3-amine
PubChem CID113243712
Molecular FormulaC14H14BrFN2
Molecular Weight309.18 g/mol
Exact Mass308.03
IUPAC Name5-bromo-N-[1-(4-fluorophenyl)propan-2-yl]pyridin-3-amine
SMILESCC(Cc1ccc(F)cc1)Nc1cncc(Br)c1
InChIInChI=1S/C14H14BrFN2/c1-10(6-11-2-4-13(16)5-3-11)18-14-7-12(15)8-17-9-14/h2-5,7-10,18H,6H2,1H3
InChIKeyOQBFOLGQQNZADS-UHFFFAOYSA-N
XLogP4.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.18
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[1-(4-fluorophenyl)propan-2-yl]-5-methylaniline
CID 107582160
3-bromo-N-[1-(4-fluorophenyl)propan-2-yl]-5-methoxyaniline
CID 114830578
5-bromo-3-chloro-N-[1-(4-fluorophenyl)propan-2-yl]pyridin-2-amine
CID 103582511
N-[1-(4-fluorophenyl)propan-2-yl]-5-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine
CID 75498020
5-bromo-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine
CID 115657686
5-bromo-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridin-3-amine
CID 112695253
5-bromo-N-(4-ethylsulfanylbutan-2-yl)pyridin-3-amine
CID 115744781
3-N-[1-(4-fluorophenyl)propan-2-yl]-5-methylbenzene-1,3-diamine
CID 112647737
5-bromo-N-hex-5-en-2-ylpyridin-3-amine
CID 104583994
5-bromo-N-pentan-3-ylpyridin-3-amine
CID 115620552
5-bromo-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-3-amine
CID 115657159
1-ethyl-N-[1-(4-fluorophenyl)propan-2-yl]pyrazol-4-amine
CID 115922678

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(4-fluorophenyl)propan-2-yl]pyridin-3-amine?
The IUPAC name of 5-bromo-N-[1-(4-fluorophenyl)propan-2-yl]pyridin-3-amine (CID 113243712) is 5-bromo-N-[1-(4-fluorophenyl)propan-2-yl]pyridin-3-amine.
What is the SMILES notation for 5-bromo-N-[1-(4-fluorophenyl)propan-2-yl]pyridin-3-amine?
The canonical SMILES for 5-bromo-N-[1-(4-fluorophenyl)propan-2-yl]pyridin-3-amine is CC(Cc1ccc(F)cc1)Nc1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[1-(4-fluorophenyl)propan-2-yl]pyridin-3-amine?
The InChIKey is OQBFOLGQQNZADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2/c1-10(6-11-2-4-13(16)5-3-11)18-14-7-12(15)8-17-9-14/h2-5,7-10,18H,6H2,1H3.
What are the key properties of 5-bromo-N-[1-(4-fluorophenyl)propan-2-yl]pyridin-3-amine?
5-bromo-N-[1-(4-fluorophenyl)propan-2-yl]pyridin-3-amine has a molecular weight of 309.18 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(4-fluorophenyl)propan-2-yl]pyridin-3-amine is sourced from PubChem (CID 113243712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).