3-[[6-[3-(diethylamino)propoxy]-9H-fluoren-2-yl]oxy]-N,N-diethylpropan-1-amine

C27H40N2O2 — CID 57439221

IUPAC3-[[6-[3-(diethylamino)propoxy]-9H-fluoren-2-yl]oxy]-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCCOc1ccc2c(c1)Cc1ccc(OCCCN(CC)CC)cc1-2
InChIInChI=1S/C27H40N2O2/c1-5-28(6-2)15-9-17-30-24-13-14-26-23(20-24)19-22-11-12-25(21-27(22)26)31-18-10-16-29(7-3)8-4/h11-14,20-21H,5-10,15-19H2,1-4H3
InChIKeyAMVIOASVUUPGJY-UHFFFAOYSA-N
MW424.63 g/mol
LogP5.48
Rot. Bonds14

About 3-[[6-[3-(diethylamino)propoxy]-9H-fluoren-2-yl]oxy]-N,N-diethylpropan-1-amine

3-[[6-[3-(diethylamino)propoxy]-9H-fluoren-2-yl]oxy]-N,N-diethylpropan-1-amine (PubChem CID 57439221) has the molecular formula C27H40N2O2 and a molecular weight of 424.63 g/mol. Its IUPAC name is 3-[[6-[3-(diethylamino)propoxy]-9H-fluoren-2-yl]oxy]-N,N-diethylpropan-1-amine.

Molecular Properties

Compound Name3-[[6-[3-(diethylamino)propoxy]-9H-fluoren-2-yl]oxy]-N,N-diethylpropan-1-amine
PubChem CID57439221
Molecular FormulaC27H40N2O2
Molecular Weight424.63 g/mol
Exact Mass424.31
IUPAC Name3-[[6-[3-(diethylamino)propoxy]-9H-fluoren-2-yl]oxy]-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCCOc1ccc2c(c1)Cc1ccc(OCCCN(CC)CC)cc1-2
InChIInChI=1S/C27H40N2O2/c1-5-28(6-2)15-9-17-30-24-13-14-26-23(20-24)19-22-11-12-25(21-27(22)26)31-18-10-16-29(7-3)8-4/h11-14,20-21H,5-10,15-19H2,1-4H3
InChIKeyAMVIOASVUUPGJY-UHFFFAOYSA-N
XLogP5.48
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.63
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3-[[6-[3-(methylamino)propoxy]-9H-fluoren-2-yl]oxy]propan-1-amine
CID 57439214
2-[[7-[2-(dimethylamino)ethoxy]-9H-fluoren-2-yl]oxy]-N,N-dimethylethanamine
CID 11393658
3-[8-[3-(diethylamino)propoxy]-5,5-dioxodibenzothiophen-2-yl]oxy-N,N-diethylpropan-1-amine
CID 67163167
N,N-diethyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethanamine
CID 10490742
N-propyl-3-[[7-[3-(propylamino)propoxy]-9H-fluoren-2-yl]oxy]propan-1-amine
CID 11463619
trimethyl-[2-[[7-[2-(trimethylazaniumyl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]azanium
CID 11545195
6-[4-(diethylamino)butoxy]-2,3-dihydrochromen-4-one
CID 141195358
2-[[3-[3-(diethylamino)propoxy]phenyl]methylidene]-3H-inden-1-one
CID 54193339
2,7-bis[2-(dimethylamino)ethoxy]-10H-phenanthren-9-one
CID 57439818
3,5-bis[4-(diethylamino)butoxy]fluoren-9-one
CID 19594755
[[2,7-bis[3-(diethylamino)propoxy]fluoren-9-ylidene]amino]urea
CID 3503046
N,N-diethyl-4-naphthalen-2-yloxybutan-1-amine
CID 5333118

Frequently Asked Questions

What is the IUPAC name of 3-[[6-[3-(diethylamino)propoxy]-9H-fluoren-2-yl]oxy]-N,N-diethylpropan-1-amine?
The IUPAC name of 3-[[6-[3-(diethylamino)propoxy]-9H-fluoren-2-yl]oxy]-N,N-diethylpropan-1-amine (CID 57439221) is 3-[[6-[3-(diethylamino)propoxy]-9H-fluoren-2-yl]oxy]-N,N-diethylpropan-1-amine.
What is the SMILES notation for 3-[[6-[3-(diethylamino)propoxy]-9H-fluoren-2-yl]oxy]-N,N-diethylpropan-1-amine?
The canonical SMILES for 3-[[6-[3-(diethylamino)propoxy]-9H-fluoren-2-yl]oxy]-N,N-diethylpropan-1-amine is CCN(CC)CCCOc1ccc2c(c1)Cc1ccc(OCCCN(CC)CC)cc1-2.
What is the InChIKey of 3-[[6-[3-(diethylamino)propoxy]-9H-fluoren-2-yl]oxy]-N,N-diethylpropan-1-amine?
The InChIKey is AMVIOASVUUPGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N2O2/c1-5-28(6-2)15-9-17-30-24-13-14-26-23(20-24)19-22-11-12-25(21-27(22)26)31-18-10-16-29(7-3)8-4/h11-14,20-21H,5-10,15-19H2,1-4H3.
What are the key properties of 3-[[6-[3-(diethylamino)propoxy]-9H-fluoren-2-yl]oxy]-N,N-diethylpropan-1-amine?
3-[[6-[3-(diethylamino)propoxy]-9H-fluoren-2-yl]oxy]-N,N-diethylpropan-1-amine has a molecular weight of 424.63 g/mol, XLogP of 5.48, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[3-(diethylamino)propoxy]-9H-fluoren-2-yl]oxy]-N,N-diethylpropan-1-amine is sourced from PubChem (CID 57439221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).