1-N-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine

C17H19FN2 — CID 79724000

IUPAC1-N-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
SMILESCC(NC1CCc2cc(N)ccc21)c1ccc(F)cc1
InChIInChI=1S/C17H19FN2/c1-11(12-2-5-14(18)6-3-12)20-17-9-4-13-10-15(19)7-8-16(13)17/h2-3,5-8,10-11,17,20H,4,9,19H2,1H3
InChIKeyQIZPDYWZCNDLSE-UHFFFAOYSA-N
MW270.35 g/mol
LogP3.75
Rot. Bonds3

About 1-N-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine

1-N-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine (PubChem CID 79724000) has the molecular formula C17H19FN2 and a molecular weight of 270.35 g/mol. Its IUPAC name is 1-N-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine.

Molecular Properties

Compound Name1-N-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
PubChem CID79724000
Molecular FormulaC17H19FN2
Molecular Weight270.35 g/mol
Exact Mass270.15
IUPAC Name1-N-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
SMILESCC(NC1CCc2cc(N)ccc21)c1ccc(F)cc1
InChIInChI=1S/C17H19FN2/c1-11(12-2-5-14(18)6-3-12)20-17-9-4-13-10-15(19)7-8-16(13)17/h2-3,5-8,10-11,17,20H,4,9,19H2,1H3
InChIKeyQIZPDYWZCNDLSE-UHFFFAOYSA-N
XLogP3.75
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine?
The IUPAC name of 1-N-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine (CID 79724000) is 1-N-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine.
What is the SMILES notation for 1-N-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine?
The canonical SMILES for 1-N-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine is CC(NC1CCc2cc(N)ccc21)c1ccc(F)cc1.
What is the InChIKey of 1-N-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine?
The InChIKey is QIZPDYWZCNDLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2/c1-11(12-2-5-14(18)6-3-12)20-17-9-4-13-10-15(19)7-8-16(13)17/h2-3,5-8,10-11,17,20H,4,9,19H2,1H3.
What are the key properties of 1-N-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine?
1-N-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine has a molecular weight of 270.35 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine is sourced from PubChem (CID 79724000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).