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

C18H15ClFN — CID 67247557

IUPAC2-[4-chloro-2-(3-fluorophenyl)naphthalen-1-yl]ethanamine
SMILESNCCc1c(-c2cccc(F)c2)cc(Cl)c2ccccc12
InChIInChI=1S/C18H15ClFN/c19-18-11-17(12-4-3-5-13(20)10-12)15(8-9-21)14-6-1-2-7-16(14)18/h1-7,10-11H,8-9,21H2
InChIKeyDBWYOMDDSMIHMV-UHFFFAOYSA-N
MW299.78 g/mol
LogP4.80
Rot. Bonds3

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

2-[4-chloro-2-(3-fluorophenyl)naphthalen-1-yl]ethanamine (PubChem CID 67247557) has the molecular formula C18H15ClFN and a molecular weight of 299.78 g/mol. Its IUPAC name is 2-[4-chloro-2-(3-fluorophenyl)naphthalen-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-chloro-2-(3-fluorophenyl)naphthalen-1-yl]ethanamine
PubChem CID67247557
Molecular FormulaC18H15ClFN
Molecular Weight299.78 g/mol
Exact Mass299.09
IUPAC Name2-[4-chloro-2-(3-fluorophenyl)naphthalen-1-yl]ethanamine
SMILESNCCc1c(-c2cccc(F)c2)cc(Cl)c2ccccc12
InChIInChI=1S/C18H15ClFN/c19-18-11-17(12-4-3-5-13(20)10-12)15(8-9-21)14-6-1-2-7-16(14)18/h1-7,10-11H,8-9,21H2
InChIKeyDBWYOMDDSMIHMV-UHFFFAOYSA-N
XLogP4.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(3-fluorophenyl)naphthalen-1-yl]ethanamine?
The IUPAC name of 2-[4-chloro-2-(3-fluorophenyl)naphthalen-1-yl]ethanamine (CID 67247557) is 2-[4-chloro-2-(3-fluorophenyl)naphthalen-1-yl]ethanamine.
What is the SMILES notation for 2-[4-chloro-2-(3-fluorophenyl)naphthalen-1-yl]ethanamine?
The canonical SMILES for 2-[4-chloro-2-(3-fluorophenyl)naphthalen-1-yl]ethanamine is NCCc1c(-c2cccc(F)c2)cc(Cl)c2ccccc12.
What is the InChIKey of 2-[4-chloro-2-(3-fluorophenyl)naphthalen-1-yl]ethanamine?
The InChIKey is DBWYOMDDSMIHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN/c19-18-11-17(12-4-3-5-13(20)10-12)15(8-9-21)14-6-1-2-7-16(14)18/h1-7,10-11H,8-9,21H2.
What are the key properties of 2-[4-chloro-2-(3-fluorophenyl)naphthalen-1-yl]ethanamine?
2-[4-chloro-2-(3-fluorophenyl)naphthalen-1-yl]ethanamine has a molecular weight of 299.78 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-(3-fluorophenyl)naphthalen-1-yl]ethanamine is sourced from PubChem (CID 67247557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).