1-[4-chloro-1-(3-fluorophenyl)naphthalen-2-yl]ethanamine

C18H15ClFN — CID 58368683

IUPAC1-[4-chloro-1-(3-fluorophenyl)naphthalen-2-yl]ethanamine
SMILESCC(N)c1cc(Cl)c2ccccc2c1-c1cccc(F)c1
InChIInChI=1S/C18H15ClFN/c1-11(21)16-10-17(19)14-7-2-3-8-15(14)18(16)12-5-4-6-13(20)9-12/h2-11H,21H2,1H3
InChIKeyHBMIFEPDFOAMQE-UHFFFAOYSA-N
MW299.78 g/mol
LogP5.32
Rot. Bonds2

About 1-[4-chloro-1-(3-fluorophenyl)naphthalen-2-yl]ethanamine

1-[4-chloro-1-(3-fluorophenyl)naphthalen-2-yl]ethanamine (PubChem CID 58368683) has the molecular formula C18H15ClFN and a molecular weight of 299.78 g/mol. Its IUPAC name is 1-[4-chloro-1-(3-fluorophenyl)naphthalen-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-chloro-1-(3-fluorophenyl)naphthalen-2-yl]ethanamine
PubChem CID58368683
Molecular FormulaC18H15ClFN
Molecular Weight299.78 g/mol
Exact Mass299.09
IUPAC Name1-[4-chloro-1-(3-fluorophenyl)naphthalen-2-yl]ethanamine
SMILESCC(N)c1cc(Cl)c2ccccc2c1-c1cccc(F)c1
InChIInChI=1S/C18H15ClFN/c1-11(21)16-10-17(19)14-7-2-3-8-15(14)18(16)12-5-4-6-13(20)9-12/h2-11H,21H2,1H3
InChIKeyHBMIFEPDFOAMQE-UHFFFAOYSA-N
XLogP5.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.78
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-1-(3-fluorophenyl)naphthalen-2-yl]ethanamine?
The IUPAC name of 1-[4-chloro-1-(3-fluorophenyl)naphthalen-2-yl]ethanamine (CID 58368683) is 1-[4-chloro-1-(3-fluorophenyl)naphthalen-2-yl]ethanamine.
What is the SMILES notation for 1-[4-chloro-1-(3-fluorophenyl)naphthalen-2-yl]ethanamine?
The canonical SMILES for 1-[4-chloro-1-(3-fluorophenyl)naphthalen-2-yl]ethanamine is CC(N)c1cc(Cl)c2ccccc2c1-c1cccc(F)c1.
What is the InChIKey of 1-[4-chloro-1-(3-fluorophenyl)naphthalen-2-yl]ethanamine?
The InChIKey is HBMIFEPDFOAMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN/c1-11(21)16-10-17(19)14-7-2-3-8-15(14)18(16)12-5-4-6-13(20)9-12/h2-11H,21H2,1H3.
What are the key properties of 1-[4-chloro-1-(3-fluorophenyl)naphthalen-2-yl]ethanamine?
1-[4-chloro-1-(3-fluorophenyl)naphthalen-2-yl]ethanamine has a molecular weight of 299.78 g/mol, XLogP of 5.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-1-(3-fluorophenyl)naphthalen-2-yl]ethanamine is sourced from PubChem (CID 58368683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).