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

C17H18F2N2 — CID 79722219

IUPAC1-N-[2-(3,5-difluorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
SMILESNc1ccc2c(c1)CCC2NCCc1cc(F)cc(F)c1
InChIInChI=1S/C17H18F2N2/c18-13-7-11(8-14(19)10-13)5-6-21-17-4-1-12-9-15(20)2-3-16(12)17/h2-3,7-10,17,21H,1,4-6,20H2
InChIKeyBAQYZIREHCAQCR-UHFFFAOYSA-N
MW288.34 g/mol
LogP3.37
Rot. Bonds4

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

1-N-[2-(3,5-difluorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine (PubChem CID 79722219) has the molecular formula C17H18F2N2 and a molecular weight of 288.34 g/mol. Its IUPAC name is 1-N-[2-(3,5-difluorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine.

Molecular Properties

Compound Name1-N-[2-(3,5-difluorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
PubChem CID79722219
Molecular FormulaC17H18F2N2
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Name1-N-[2-(3,5-difluorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
SMILESNc1ccc2c(c1)CCC2NCCc1cc(F)cc(F)c1
InChIInChI=1S/C17H18F2N2/c18-13-7-11(8-14(19)10-13)5-6-21-17-4-1-12-9-15(20)2-3-16(12)17/h2-3,7-10,17,21H,1,4-6,20H2
InChIKeyBAQYZIREHCAQCR-UHFFFAOYSA-N
XLogP3.37
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 53.37
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-[2-(3,5-difluorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine?
The IUPAC name of 1-N-[2-(3,5-difluorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine (CID 79722219) is 1-N-[2-(3,5-difluorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine.
What is the SMILES notation for 1-N-[2-(3,5-difluorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine?
The canonical SMILES for 1-N-[2-(3,5-difluorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine is Nc1ccc2c(c1)CCC2NCCc1cc(F)cc(F)c1.
What is the InChIKey of 1-N-[2-(3,5-difluorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine?
The InChIKey is BAQYZIREHCAQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2/c18-13-7-11(8-14(19)10-13)5-6-21-17-4-1-12-9-15(20)2-3-16(12)17/h2-3,7-10,17,21H,1,4-6,20H2.
What are the key properties of 1-N-[2-(3,5-difluorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine?
1-N-[2-(3,5-difluorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine has a molecular weight of 288.34 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(3,5-difluorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine is sourced from PubChem (CID 79722219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).