N-propyl-3-[[7-[3-(propylamino)propoxy]-9H-fluoren-2-yl]oxy]propan-1-amine

C25H36N2O2 — CID 11463619

IUPACN-propyl-3-[[7-[3-(propylamino)propoxy]-9H-fluoren-2-yl]oxy]propan-1-amine
SMILESCCCNCCCOc1ccc2c(c1)Cc1cc(OCCCNCCC)ccc1-2
InChIInChI=1S/C25H36N2O2/c1-3-11-26-13-5-15-28-22-7-9-24-20(18-22)17-21-19-23(8-10-25(21)24)29-16-6-14-27-12-4-2/h7-10,18-19,26-27H,3-6,11-17H2,1-2H3
InChIKeySKJVLOXAMKHNDA-UHFFFAOYSA-N
MW396.58 g/mol
LogP4.79
Rot. Bonds14

About N-propyl-3-[[7-[3-(propylamino)propoxy]-9H-fluoren-2-yl]oxy]propan-1-amine

N-propyl-3-[[7-[3-(propylamino)propoxy]-9H-fluoren-2-yl]oxy]propan-1-amine (PubChem CID 11463619) has the molecular formula C25H36N2O2 and a molecular weight of 396.58 g/mol. Its IUPAC name is N-propyl-3-[[7-[3-(propylamino)propoxy]-9H-fluoren-2-yl]oxy]propan-1-amine.

Molecular Properties

Compound NameN-propyl-3-[[7-[3-(propylamino)propoxy]-9H-fluoren-2-yl]oxy]propan-1-amine
PubChem CID11463619
Molecular FormulaC25H36N2O2
Molecular Weight396.58 g/mol
Exact Mass396.28
IUPAC NameN-propyl-3-[[7-[3-(propylamino)propoxy]-9H-fluoren-2-yl]oxy]propan-1-amine
SMILESCCCNCCCOc1ccc2c(c1)Cc1cc(OCCCNCCC)ccc1-2
InChIInChI=1S/C25H36N2O2/c1-3-11-26-13-5-15-28-22-7-9-24-20(18-22)17-21-19-23(8-10-25(21)24)29-16-6-14-27-12-4-2/h7-10,18-19,26-27H,3-6,11-17H2,1-2H3
InChIKeySKJVLOXAMKHNDA-UHFFFAOYSA-N
XLogP4.79
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.58
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-dihydro-2-benzofuran-5-yloxy)-N-propylpropan-1-amine
CID 156569114
N-methyl-3-[[6-[3-(methylamino)propoxy]-9H-fluoren-2-yl]oxy]propan-1-amine
CID 57439214
3-[5-oxo-8-[3-(propylamino)propoxy]dibenzothiophen-2-yl]oxy-N-propylpropan-1-amine
CID 67163442
5-(2,3-dihydro-1H-inden-5-yloxy)-N-propylpentan-1-amine
CID 55077053
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]hexan-1-amine
CID 63516360
N-[2-[5-oxo-8-[2-(propylamino)ethoxy]dibenzothiophen-2-yl]oxyethyl]propan-1-amine
CID 67164021
3-(4-methylphenoxy)-N-propylpropan-1-amine
CID 29015066
N-[2-[5-oxo-7-[2-(propylamino)ethoxy]dibenzothiophen-2-yl]oxyethyl]propan-1-amine
CID 67163153
trimethyl-[2-[[7-[2-(trimethylazaniumyl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]azanium
CID 11545195
2-[[7-[2-(dimethylamino)ethoxy]-9H-fluoren-2-yl]oxy]-N,N-dimethylethanamine
CID 11393658
3-[[6-[3-(diethylamino)propoxy]-9H-fluoren-2-yl]oxy]-N,N-diethylpropan-1-amine
CID 57439221
7-decoxy-9H-fluorene-2-carboxylic acid
CID 22153912

Frequently Asked Questions

What is the IUPAC name of N-propyl-3-[[7-[3-(propylamino)propoxy]-9H-fluoren-2-yl]oxy]propan-1-amine?
The IUPAC name of N-propyl-3-[[7-[3-(propylamino)propoxy]-9H-fluoren-2-yl]oxy]propan-1-amine (CID 11463619) is N-propyl-3-[[7-[3-(propylamino)propoxy]-9H-fluoren-2-yl]oxy]propan-1-amine.
What is the SMILES notation for N-propyl-3-[[7-[3-(propylamino)propoxy]-9H-fluoren-2-yl]oxy]propan-1-amine?
The canonical SMILES for N-propyl-3-[[7-[3-(propylamino)propoxy]-9H-fluoren-2-yl]oxy]propan-1-amine is CCCNCCCOc1ccc2c(c1)Cc1cc(OCCCNCCC)ccc1-2.
What is the InChIKey of N-propyl-3-[[7-[3-(propylamino)propoxy]-9H-fluoren-2-yl]oxy]propan-1-amine?
The InChIKey is SKJVLOXAMKHNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O2/c1-3-11-26-13-5-15-28-22-7-9-24-20(18-22)17-21-19-23(8-10-25(21)24)29-16-6-14-27-12-4-2/h7-10,18-19,26-27H,3-6,11-17H2,1-2H3.
What are the key properties of N-propyl-3-[[7-[3-(propylamino)propoxy]-9H-fluoren-2-yl]oxy]propan-1-amine?
N-propyl-3-[[7-[3-(propylamino)propoxy]-9H-fluoren-2-yl]oxy]propan-1-amine has a molecular weight of 396.58 g/mol, XLogP of 4.79, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-[[7-[3-(propylamino)propoxy]-9H-fluoren-2-yl]oxy]propan-1-amine is sourced from PubChem (CID 11463619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).