4-[2-(3,5-dichloro-2-pyridinyl)propan-2-yloxy]-3-fluoroaniline

C14H13Cl2FN2O — CID 118456092

IUPAC4-[2-(3,5-dichloro-2-pyridinyl)propan-2-yloxy]-3-fluoroaniline
SMILESCC(C)(Oc1ccc(N)cc1F)c1ncc(Cl)cc1Cl
InChIInChI=1S/C14H13Cl2FN2O/c1-14(2,13-10(16)5-8(15)7-19-13)20-12-4-3-9(18)6-11(12)17/h3-7H,18H2,1-2H3
InChIKeyPCUVENRHJGBFRI-UHFFFAOYSA-N
MW315.18 g/mol
LogP4.42
Rot. Bonds3

About 4-[2-(3,5-dichloro-2-pyridinyl)propan-2-yloxy]-3-fluoroaniline

4-[2-(3,5-dichloro-2-pyridinyl)propan-2-yloxy]-3-fluoroaniline (PubChem CID 118456092) has the molecular formula C14H13Cl2FN2O and a molecular weight of 315.18 g/mol. Its IUPAC name is 4-[2-(3,5-dichloro-2-pyridinyl)propan-2-yloxy]-3-fluoroaniline.

Molecular Properties

Compound Name4-[2-(3,5-dichloro-2-pyridinyl)propan-2-yloxy]-3-fluoroaniline
PubChem CID118456092
Molecular FormulaC14H13Cl2FN2O
Molecular Weight315.18 g/mol
Exact Mass314.04
IUPAC Name4-[2-(3,5-dichloro-2-pyridinyl)propan-2-yloxy]-3-fluoroaniline
SMILESCC(C)(Oc1ccc(N)cc1F)c1ncc(Cl)cc1Cl
InChIInChI=1S/C14H13Cl2FN2O/c1-14(2,13-10(16)5-8(15)7-19-13)20-12-4-3-9(18)6-11(12)17/h3-7H,18H2,1-2H3
InChIKeyPCUVENRHJGBFRI-UHFFFAOYSA-N
XLogP4.42
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.18
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-dichloro-2-pyridinyl)propan-2-yloxy]-3-fluoroaniline?
The IUPAC name of 4-[2-(3,5-dichloro-2-pyridinyl)propan-2-yloxy]-3-fluoroaniline (CID 118456092) is 4-[2-(3,5-dichloro-2-pyridinyl)propan-2-yloxy]-3-fluoroaniline.
What is the SMILES notation for 4-[2-(3,5-dichloro-2-pyridinyl)propan-2-yloxy]-3-fluoroaniline?
The canonical SMILES for 4-[2-(3,5-dichloro-2-pyridinyl)propan-2-yloxy]-3-fluoroaniline is CC(C)(Oc1ccc(N)cc1F)c1ncc(Cl)cc1Cl.
What is the InChIKey of 4-[2-(3,5-dichloro-2-pyridinyl)propan-2-yloxy]-3-fluoroaniline?
The InChIKey is PCUVENRHJGBFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2FN2O/c1-14(2,13-10(16)5-8(15)7-19-13)20-12-4-3-9(18)6-11(12)17/h3-7H,18H2,1-2H3.
What are the key properties of 4-[2-(3,5-dichloro-2-pyridinyl)propan-2-yloxy]-3-fluoroaniline?
4-[2-(3,5-dichloro-2-pyridinyl)propan-2-yloxy]-3-fluoroaniline has a molecular weight of 315.18 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-dichloro-2-pyridinyl)propan-2-yloxy]-3-fluoroaniline is sourced from PubChem (CID 118456092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).