3-chloro-2-N-(2-ethoxyethyl)-6-N,6-N-diethyl-9H-fluorene-2,6-diamine

C21H27ClN2O — CID 54279330

IUPAC3-chloro-2-N-(2-ethoxyethyl)-6-N,6-N-diethyl-9H-fluorene-2,6-diamine
SMILESCCOCCNc1cc2c(cc1Cl)-c1cc(N(CC)CC)ccc1C2
InChIInChI=1S/C21H27ClN2O/c1-4-24(5-2)17-8-7-15-11-16-12-21(23-9-10-25-6-3)20(22)14-19(16)18(15)13-17/h7-8,12-14,23H,4-6,9-11H2,1-3H3
InChIKeyRPRIPOALIZKRKG-UHFFFAOYSA-N
MW358.91 g/mol
LogP5.21
Rot. Bonds8

About 3-chloro-2-N-(2-ethoxyethyl)-6-N,6-N-diethyl-9H-fluorene-2,6-diamine

3-chloro-2-N-(2-ethoxyethyl)-6-N,6-N-diethyl-9H-fluorene-2,6-diamine (PubChem CID 54279330) has the molecular formula C21H27ClN2O and a molecular weight of 358.91 g/mol. Its IUPAC name is 3-chloro-2-N-(2-ethoxyethyl)-6-N,6-N-diethyl-9H-fluorene-2,6-diamine.

Molecular Properties

Compound Name3-chloro-2-N-(2-ethoxyethyl)-6-N,6-N-diethyl-9H-fluorene-2,6-diamine
PubChem CID54279330
Molecular FormulaC21H27ClN2O
Molecular Weight358.91 g/mol
Exact Mass358.18
IUPAC Name3-chloro-2-N-(2-ethoxyethyl)-6-N,6-N-diethyl-9H-fluorene-2,6-diamine
SMILESCCOCCNc1cc2c(cc1Cl)-c1cc(N(CC)CC)ccc1C2
InChIInChI=1S/C21H27ClN2O/c1-4-24(5-2)17-8-7-15-11-16-12-21(23-9-10-25-6-3)20(22)14-19(16)18(15)13-17/h7-8,12-14,23H,4-6,9-11H2,1-3H3
InChIKeyRPRIPOALIZKRKG-UHFFFAOYSA-N
XLogP5.21
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.91
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-N-(2-ethoxyethyl)-6-N,6-N-diethyl-9H-fluorene-2,6-diamine?
The IUPAC name of 3-chloro-2-N-(2-ethoxyethyl)-6-N,6-N-diethyl-9H-fluorene-2,6-diamine (CID 54279330) is 3-chloro-2-N-(2-ethoxyethyl)-6-N,6-N-diethyl-9H-fluorene-2,6-diamine.
What is the SMILES notation for 3-chloro-2-N-(2-ethoxyethyl)-6-N,6-N-diethyl-9H-fluorene-2,6-diamine?
The canonical SMILES for 3-chloro-2-N-(2-ethoxyethyl)-6-N,6-N-diethyl-9H-fluorene-2,6-diamine is CCOCCNc1cc2c(cc1Cl)-c1cc(N(CC)CC)ccc1C2.
What is the InChIKey of 3-chloro-2-N-(2-ethoxyethyl)-6-N,6-N-diethyl-9H-fluorene-2,6-diamine?
The InChIKey is RPRIPOALIZKRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O/c1-4-24(5-2)17-8-7-15-11-16-12-21(23-9-10-25-6-3)20(22)14-19(16)18(15)13-17/h7-8,12-14,23H,4-6,9-11H2,1-3H3.
What are the key properties of 3-chloro-2-N-(2-ethoxyethyl)-6-N,6-N-diethyl-9H-fluorene-2,6-diamine?
3-chloro-2-N-(2-ethoxyethyl)-6-N,6-N-diethyl-9H-fluorene-2,6-diamine has a molecular weight of 358.91 g/mol, XLogP of 5.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-N-(2-ethoxyethyl)-6-N,6-N-diethyl-9H-fluorene-2,6-diamine is sourced from PubChem (CID 54279330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).