6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-9-(methoxymethyl)-N,N-dimethylcarbazol-3-amine

C22H29FN2O4 — CID 58160203

IUPAC6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-9-(methoxymethyl)-N,N-dimethylcarbazol-3-amine
SMILESCOCn1c2ccc(OCCOCCOCCF)cc2c2cc(N(C)C)ccc21
InChIInChI=1S/C22H29FN2O4/c1-24(2)17-4-6-21-19(14-17)20-15-18(5-7-22(20)25(21)16-26-3)29-13-12-28-11-10-27-9-8-23/h4-7,14-15H,8-13,16H2,1-3H3
InChIKeyFJLUXCDWCPHALF-UHFFFAOYSA-N
MW404.48 g/mol
LogP3.85
Rot. Bonds12

About 6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-9-(methoxymethyl)-N,N-dimethylcarbazol-3-amine

6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-9-(methoxymethyl)-N,N-dimethylcarbazol-3-amine (PubChem CID 58160203) has the molecular formula C22H29FN2O4 and a molecular weight of 404.48 g/mol. Its IUPAC name is 6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-9-(methoxymethyl)-N,N-dimethylcarbazol-3-amine.

Molecular Properties

Compound Name6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-9-(methoxymethyl)-N,N-dimethylcarbazol-3-amine
PubChem CID58160203
Molecular FormulaC22H29FN2O4
Molecular Weight404.48 g/mol
Exact Mass404.21
IUPAC Name6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-9-(methoxymethyl)-N,N-dimethylcarbazol-3-amine
SMILESCOCn1c2ccc(OCCOCCOCCF)cc2c2cc(N(C)C)ccc21
InChIInChI=1S/C22H29FN2O4/c1-24(2)17-4-6-21-19(14-17)20-15-18(5-7-22(20)25(21)16-26-3)29-13-12-28-11-10-27-9-8-23/h4-7,14-15H,8-13,16H2,1-3H3
InChIKeyFJLUXCDWCPHALF-UHFFFAOYSA-N
XLogP3.85
TPSA45.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.48
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-9-(methoxymethyl)-N,N-dimethylcarbazol-3-amine?
The IUPAC name of 6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-9-(methoxymethyl)-N,N-dimethylcarbazol-3-amine (CID 58160203) is 6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-9-(methoxymethyl)-N,N-dimethylcarbazol-3-amine.
What is the SMILES notation for 6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-9-(methoxymethyl)-N,N-dimethylcarbazol-3-amine?
The canonical SMILES for 6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-9-(methoxymethyl)-N,N-dimethylcarbazol-3-amine is COCn1c2ccc(OCCOCCOCCF)cc2c2cc(N(C)C)ccc21.
What is the InChIKey of 6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-9-(methoxymethyl)-N,N-dimethylcarbazol-3-amine?
The InChIKey is FJLUXCDWCPHALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN2O4/c1-24(2)17-4-6-21-19(14-17)20-15-18(5-7-22(20)25(21)16-26-3)29-13-12-28-11-10-27-9-8-23/h4-7,14-15H,8-13,16H2,1-3H3.
What are the key properties of 6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-9-(methoxymethyl)-N,N-dimethylcarbazol-3-amine?
6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-9-(methoxymethyl)-N,N-dimethylcarbazol-3-amine has a molecular weight of 404.48 g/mol, XLogP of 3.85, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-9-(methoxymethyl)-N,N-dimethylcarbazol-3-amine is sourced from PubChem (CID 58160203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).