2-(2,4-difluorophenyl)-1-isoquinolin-5-ylethanamine

C17H14F2N2 — CID 64560423

IUPAC2-(2,4-difluorophenyl)-1-isoquinolin-5-ylethanamine
SMILESNC(Cc1ccc(F)cc1F)c1cccc2cnccc12
InChIInChI=1S/C17H14F2N2/c18-13-5-4-11(16(19)9-13)8-17(20)15-3-1-2-12-10-21-7-6-14(12)15/h1-7,9-10,17H,8,20H2
InChIKeyAEHZPWOYBCPZIK-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.76
Rot. Bonds3

About 2-(2,4-difluorophenyl)-1-isoquinolin-5-ylethanamine

2-(2,4-difluorophenyl)-1-isoquinolin-5-ylethanamine (PubChem CID 64560423) has the molecular formula C17H14F2N2 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1-isoquinolin-5-ylethanamine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1-isoquinolin-5-ylethanamine
PubChem CID64560423
Molecular FormulaC17H14F2N2
Molecular Weight284.31 g/mol
Exact Mass284.11
IUPAC Name2-(2,4-difluorophenyl)-1-isoquinolin-5-ylethanamine
SMILESNC(Cc1ccc(F)cc1F)c1cccc2cnccc12
InChIInChI=1S/C17H14F2N2/c18-13-5-4-11(16(19)9-13)8-17(20)15-3-1-2-12-10-21-7-6-14(12)15/h1-7,9-10,17H,8,20H2
InChIKeyAEHZPWOYBCPZIK-UHFFFAOYSA-N
XLogP3.76
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1-isoquinolin-5-ylethanamine?
The IUPAC name of 2-(2,4-difluorophenyl)-1-isoquinolin-5-ylethanamine (CID 64560423) is 2-(2,4-difluorophenyl)-1-isoquinolin-5-ylethanamine.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1-isoquinolin-5-ylethanamine?
The canonical SMILES for 2-(2,4-difluorophenyl)-1-isoquinolin-5-ylethanamine is NC(Cc1ccc(F)cc1F)c1cccc2cnccc12.
What is the InChIKey of 2-(2,4-difluorophenyl)-1-isoquinolin-5-ylethanamine?
The InChIKey is AEHZPWOYBCPZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2/c18-13-5-4-11(16(19)9-13)8-17(20)15-3-1-2-12-10-21-7-6-14(12)15/h1-7,9-10,17H,8,20H2.
What are the key properties of 2-(2,4-difluorophenyl)-1-isoquinolin-5-ylethanamine?
2-(2,4-difluorophenyl)-1-isoquinolin-5-ylethanamine has a molecular weight of 284.31 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1-isoquinolin-5-ylethanamine is sourced from PubChem (CID 64560423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).