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

C16H17FN2 — CID 79724024

IUPAC1-N-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine
SMILESNc1ccc2c(c1)CCC2NCc1cccc(F)c1
InChIInChI=1S/C16H17FN2/c17-13-3-1-2-11(8-13)10-19-16-7-4-12-9-14(18)5-6-15(12)16/h1-3,5-6,8-9,16,19H,4,7,10,18H2
InChIKeyYYDNTVISZSXZGK-UHFFFAOYSA-N
MW256.32 g/mol
LogP3.18
Rot. Bonds3

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

1-N-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine (PubChem CID 79724024) has the molecular formula C16H17FN2 and a molecular weight of 256.32 g/mol. Its IUPAC name is 1-N-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine.

Molecular Properties

Compound Name1-N-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine
PubChem CID79724024
Molecular FormulaC16H17FN2
Molecular Weight256.32 g/mol
Exact Mass256.14
IUPAC Name1-N-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine
SMILESNc1ccc2c(c1)CCC2NCc1cccc(F)c1
InChIInChI=1S/C16H17FN2/c17-13-3-1-2-11(8-13)10-19-16-7-4-12-9-14(18)5-6-15(12)16/h1-3,5-6,8-9,16,19H,4,7,10,18H2
InChIKeyYYDNTVISZSXZGK-UHFFFAOYSA-N
XLogP3.18
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 53.18
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-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine?
The IUPAC name of 1-N-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine (CID 79724024) is 1-N-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine.
What is the SMILES notation for 1-N-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine?
The canonical SMILES for 1-N-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine is Nc1ccc2c(c1)CCC2NCc1cccc(F)c1.
What is the InChIKey of 1-N-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine?
The InChIKey is YYDNTVISZSXZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2/c17-13-3-1-2-11(8-13)10-19-16-7-4-12-9-14(18)5-6-15(12)16/h1-3,5-6,8-9,16,19H,4,7,10,18H2.
What are the key properties of 1-N-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine?
1-N-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine has a molecular weight of 256.32 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine is sourced from PubChem (CID 79724024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).