6-N-ethyl-2-N,2-N-dimethyl-6-N-phenyl-9H-fluorene-2,6-diamine

C23H24N2 — CID 175462005

IUPAC6-N-ethyl-2-N,2-N-dimethyl-6-N-phenyl-9H-fluorene-2,6-diamine
SMILESCCN(c1ccccc1)c1ccc2c(c1)-c1ccc(N(C)C)cc1C2
InChIInChI=1S/C23H24N2/c1-4-25(19-8-6-5-7-9-19)21-11-10-17-14-18-15-20(24(2)3)12-13-22(18)23(17)16-21/h5-13,15-16H,4,14H2,1-3H3
InChIKeyCCAUZSNMTCTOLX-UHFFFAOYSA-N
MW328.46 g/mol
LogP5.48
Rot. Bonds4

About 6-N-ethyl-2-N,2-N-dimethyl-6-N-phenyl-9H-fluorene-2,6-diamine

6-N-ethyl-2-N,2-N-dimethyl-6-N-phenyl-9H-fluorene-2,6-diamine (PubChem CID 175462005) has the molecular formula C23H24N2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 6-N-ethyl-2-N,2-N-dimethyl-6-N-phenyl-9H-fluorene-2,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-2-N,2-N-dimethyl-6-N-phenyl-9H-fluorene-2,6-diamine
PubChem CID175462005
Molecular FormulaC23H24N2
Molecular Weight328.46 g/mol
Exact Mass328.19
IUPAC Name6-N-ethyl-2-N,2-N-dimethyl-6-N-phenyl-9H-fluorene-2,6-diamine
SMILESCCN(c1ccccc1)c1ccc2c(c1)-c1ccc(N(C)C)cc1C2
InChIInChI=1S/C23H24N2/c1-4-25(19-8-6-5-7-9-19)21-11-10-17-14-18-15-20(24(2)3)12-13-22(18)23(17)16-21/h5-13,15-16H,4,14H2,1-3H3
InChIKeyCCAUZSNMTCTOLX-UHFFFAOYSA-N
XLogP5.48
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.46
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-2-N,2-N-dimethyl-6-N-phenyl-9H-fluorene-2,6-diamine?
The IUPAC name of 6-N-ethyl-2-N,2-N-dimethyl-6-N-phenyl-9H-fluorene-2,6-diamine (CID 175462005) is 6-N-ethyl-2-N,2-N-dimethyl-6-N-phenyl-9H-fluorene-2,6-diamine.
What is the SMILES notation for 6-N-ethyl-2-N,2-N-dimethyl-6-N-phenyl-9H-fluorene-2,6-diamine?
The canonical SMILES for 6-N-ethyl-2-N,2-N-dimethyl-6-N-phenyl-9H-fluorene-2,6-diamine is CCN(c1ccccc1)c1ccc2c(c1)-c1ccc(N(C)C)cc1C2.
What is the InChIKey of 6-N-ethyl-2-N,2-N-dimethyl-6-N-phenyl-9H-fluorene-2,6-diamine?
The InChIKey is CCAUZSNMTCTOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2/c1-4-25(19-8-6-5-7-9-19)21-11-10-17-14-18-15-20(24(2)3)12-13-22(18)23(17)16-21/h5-13,15-16H,4,14H2,1-3H3.
What are the key properties of 6-N-ethyl-2-N,2-N-dimethyl-6-N-phenyl-9H-fluorene-2,6-diamine?
6-N-ethyl-2-N,2-N-dimethyl-6-N-phenyl-9H-fluorene-2,6-diamine has a molecular weight of 328.46 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-2-N,2-N-dimethyl-6-N-phenyl-9H-fluorene-2,6-diamine is sourced from PubChem (CID 175462005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).