3-N-(2-chloroethyl)-3-N-ethyl-6-N,6-N-dimethyl-9H-fluorene-3,6-diamine

C19H23ClN2 — CID 154479134

IUPAC3-N-(2-chloroethyl)-3-N-ethyl-6-N,6-N-dimethyl-9H-fluorene-3,6-diamine
SMILESCCN(CCCl)c1ccc2c(c1)-c1cc(N(C)C)ccc1C2
InChIInChI=1S/C19H23ClN2/c1-4-22(10-9-20)17-8-6-15-11-14-5-7-16(21(2)3)12-18(14)19(15)13-17/h5-8,12-13H,4,9-11H2,1-3H3
InChIKeyDZERVQBQFIUOJY-UHFFFAOYSA-N
MW314.86 g/mol
LogP4.39
Rot. Bonds5

About 3-N-(2-chloroethyl)-3-N-ethyl-6-N,6-N-dimethyl-9H-fluorene-3,6-diamine

3-N-(2-chloroethyl)-3-N-ethyl-6-N,6-N-dimethyl-9H-fluorene-3,6-diamine (PubChem CID 154479134) has the molecular formula C19H23ClN2 and a molecular weight of 314.86 g/mol. Its IUPAC name is 3-N-(2-chloroethyl)-3-N-ethyl-6-N,6-N-dimethyl-9H-fluorene-3,6-diamine.

Molecular Properties

Compound Name3-N-(2-chloroethyl)-3-N-ethyl-6-N,6-N-dimethyl-9H-fluorene-3,6-diamine
PubChem CID154479134
Molecular FormulaC19H23ClN2
Molecular Weight314.86 g/mol
Exact Mass314.15
IUPAC Name3-N-(2-chloroethyl)-3-N-ethyl-6-N,6-N-dimethyl-9H-fluorene-3,6-diamine
SMILESCCN(CCCl)c1ccc2c(c1)-c1cc(N(C)C)ccc1C2
InChIInChI=1S/C19H23ClN2/c1-4-22(10-9-20)17-8-6-15-11-14-5-7-16(21(2)3)12-18(14)19(15)13-17/h5-8,12-13H,4,9-11H2,1-3H3
InChIKeyDZERVQBQFIUOJY-UHFFFAOYSA-N
XLogP4.39
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-N-(2-chloroethyl)-3-N-ethyl-6-N,6-N-dimethyl-9H-fluorene-3,6-diamine?
The IUPAC name of 3-N-(2-chloroethyl)-3-N-ethyl-6-N,6-N-dimethyl-9H-fluorene-3,6-diamine (CID 154479134) is 3-N-(2-chloroethyl)-3-N-ethyl-6-N,6-N-dimethyl-9H-fluorene-3,6-diamine.
What is the SMILES notation for 3-N-(2-chloroethyl)-3-N-ethyl-6-N,6-N-dimethyl-9H-fluorene-3,6-diamine?
The canonical SMILES for 3-N-(2-chloroethyl)-3-N-ethyl-6-N,6-N-dimethyl-9H-fluorene-3,6-diamine is CCN(CCCl)c1ccc2c(c1)-c1cc(N(C)C)ccc1C2.
What is the InChIKey of 3-N-(2-chloroethyl)-3-N-ethyl-6-N,6-N-dimethyl-9H-fluorene-3,6-diamine?
The InChIKey is DZERVQBQFIUOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2/c1-4-22(10-9-20)17-8-6-15-11-14-5-7-16(21(2)3)12-18(14)19(15)13-17/h5-8,12-13H,4,9-11H2,1-3H3.
What are the key properties of 3-N-(2-chloroethyl)-3-N-ethyl-6-N,6-N-dimethyl-9H-fluorene-3,6-diamine?
3-N-(2-chloroethyl)-3-N-ethyl-6-N,6-N-dimethyl-9H-fluorene-3,6-diamine has a molecular weight of 314.86 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-chloroethyl)-3-N-ethyl-6-N,6-N-dimethyl-9H-fluorene-3,6-diamine is sourced from PubChem (CID 154479134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).