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

C18H21FN2 — CID 79722481

IUPAC1-N-[1-(4-fluorophenyl)propan-2-yl]-2,3-dihydro-1H-indene-1,5-diamine
SMILESCC(Cc1ccc(F)cc1)NC1CCc2cc(N)ccc21
InChIInChI=1S/C18H21FN2/c1-12(10-13-2-5-15(19)6-3-13)21-18-9-4-14-11-16(20)7-8-17(14)18/h2-3,5-8,11-12,18,21H,4,9-10,20H2,1H3
InChIKeyWDDWFTJRCQKCIG-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.62
Rot. Bonds4

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

1-N-[1-(4-fluorophenyl)propan-2-yl]-2,3-dihydro-1H-indene-1,5-diamine (PubChem CID 79722481) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-N-[1-(4-fluorophenyl)propan-2-yl]-2,3-dihydro-1H-indene-1,5-diamine.

Molecular Properties

Compound Name1-N-[1-(4-fluorophenyl)propan-2-yl]-2,3-dihydro-1H-indene-1,5-diamine
PubChem CID79722481
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC Name1-N-[1-(4-fluorophenyl)propan-2-yl]-2,3-dihydro-1H-indene-1,5-diamine
SMILESCC(Cc1ccc(F)cc1)NC1CCc2cc(N)ccc21
InChIInChI=1S/C18H21FN2/c1-12(10-13-2-5-15(19)6-3-13)21-18-9-4-14-11-16(20)7-8-17(14)18/h2-3,5-8,11-12,18,21H,4,9-10,20H2,1H3
InChIKeyWDDWFTJRCQKCIG-UHFFFAOYSA-N
XLogP3.62
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.62
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)propan-2-yl]-2,3-dihydro-1H-indene-1,5-diamine?
The IUPAC name of 1-N-[1-(4-fluorophenyl)propan-2-yl]-2,3-dihydro-1H-indene-1,5-diamine (CID 79722481) is 1-N-[1-(4-fluorophenyl)propan-2-yl]-2,3-dihydro-1H-indene-1,5-diamine.
What is the SMILES notation for 1-N-[1-(4-fluorophenyl)propan-2-yl]-2,3-dihydro-1H-indene-1,5-diamine?
The canonical SMILES for 1-N-[1-(4-fluorophenyl)propan-2-yl]-2,3-dihydro-1H-indene-1,5-diamine is CC(Cc1ccc(F)cc1)NC1CCc2cc(N)ccc21.
What is the InChIKey of 1-N-[1-(4-fluorophenyl)propan-2-yl]-2,3-dihydro-1H-indene-1,5-diamine?
The InChIKey is WDDWFTJRCQKCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/c1-12(10-13-2-5-15(19)6-3-13)21-18-9-4-14-11-16(20)7-8-17(14)18/h2-3,5-8,11-12,18,21H,4,9-10,20H2,1H3.
What are the key properties of 1-N-[1-(4-fluorophenyl)propan-2-yl]-2,3-dihydro-1H-indene-1,5-diamine?
1-N-[1-(4-fluorophenyl)propan-2-yl]-2,3-dihydro-1H-indene-1,5-diamine has a molecular weight of 284.38 g/mol, XLogP of 3.62, 4 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)propan-2-yl]-2,3-dihydro-1H-indene-1,5-diamine is sourced from PubChem (CID 79722481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).