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

C16H17FN2 — CID 79724839

IUPAC1-N-[(4-fluorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine
SMILESNc1ccc2c(c1)CCC2NCc1ccc(F)cc1
InChIInChI=1S/C16H17FN2/c17-13-4-1-11(2-5-13)10-19-16-8-3-12-9-14(18)6-7-15(12)16/h1-2,4-7,9,16,19H,3,8,10,18H2
InChIKeyKEYNDJUIVRVGFR-UHFFFAOYSA-N
MW256.32 g/mol
LogP3.18
Rot. Bonds3

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

1-N-[(4-fluorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine (PubChem CID 79724839) has the molecular formula C16H17FN2 and a molecular weight of 256.32 g/mol. Its IUPAC name is 1-N-[(4-fluorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine.

Molecular Properties

Compound Name1-N-[(4-fluorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine
PubChem CID79724839
Molecular FormulaC16H17FN2
Molecular Weight256.32 g/mol
Exact Mass256.14
IUPAC Name1-N-[(4-fluorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine
SMILESNc1ccc2c(c1)CCC2NCc1ccc(F)cc1
InChIInChI=1S/C16H17FN2/c17-13-4-1-11(2-5-13)10-19-16-8-3-12-9-14(18)6-7-15(12)16/h1-2,4-7,9,16,19H,3,8,10,18H2
InChIKeyKEYNDJUIVRVGFR-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-[(4-fluorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine?
The IUPAC name of 1-N-[(4-fluorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine (CID 79724839) is 1-N-[(4-fluorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine.
What is the SMILES notation for 1-N-[(4-fluorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine?
The canonical SMILES for 1-N-[(4-fluorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine is Nc1ccc2c(c1)CCC2NCc1ccc(F)cc1.
What is the InChIKey of 1-N-[(4-fluorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine?
The InChIKey is KEYNDJUIVRVGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2/c17-13-4-1-11(2-5-13)10-19-16-8-3-12-9-14(18)6-7-15(12)16/h1-2,4-7,9,16,19H,3,8,10,18H2.
What are the key properties of 1-N-[(4-fluorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine?
1-N-[(4-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-[(4-fluorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine is sourced from PubChem (CID 79724839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).