9H-fluoren-9-yl N-methyl-N-[2-(methylamino)ethyl]carbamate;hydrochloride

C18H21ClN2O2 — CID 172594673

IUPAC9H-fluoren-9-yl N-methyl-N-[2-(methylamino)ethyl]carbamate;hydrochloride
SMILESCNCCN(C)C(=O)OC1c2ccccc2-c2ccccc21.Cl
InChIInChI=1S/C18H20N2O2.ClH/c1-19-11-12-20(2)18(21)22-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17;/h3-10,17,19H,11-12H2,1-2H3;1H
InChIKeyKETLHMOEDJTQQE-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.47
Rot. Bonds4

About 9H-fluoren-9-yl N-methyl-N-[2-(methylamino)ethyl]carbamate;hydrochloride

9H-fluoren-9-yl N-methyl-N-[2-(methylamino)ethyl]carbamate;hydrochloride (PubChem CID 172594673) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 9H-fluoren-9-yl N-methyl-N-[2-(methylamino)ethyl]carbamate;hydrochloride.

Molecular Properties

Compound Name9H-fluoren-9-yl N-methyl-N-[2-(methylamino)ethyl]carbamate;hydrochloride
PubChem CID172594673
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name9H-fluoren-9-yl N-methyl-N-[2-(methylamino)ethyl]carbamate;hydrochloride
SMILESCNCCN(C)C(=O)OC1c2ccccc2-c2ccccc21.Cl
InChIInChI=1S/C18H20N2O2.ClH/c1-19-11-12-20(2)18(21)22-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17;/h3-10,17,19H,11-12H2,1-2H3;1H
InChIKeyKETLHMOEDJTQQE-UHFFFAOYSA-N
XLogP3.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-yl N-methyl-N-[2-(methylamino)ethyl]carbamate;hydrochloride?
The IUPAC name of 9H-fluoren-9-yl N-methyl-N-[2-(methylamino)ethyl]carbamate;hydrochloride (CID 172594673) is 9H-fluoren-9-yl N-methyl-N-[2-(methylamino)ethyl]carbamate;hydrochloride.
What is the SMILES notation for 9H-fluoren-9-yl N-methyl-N-[2-(methylamino)ethyl]carbamate;hydrochloride?
The canonical SMILES for 9H-fluoren-9-yl N-methyl-N-[2-(methylamino)ethyl]carbamate;hydrochloride is CNCCN(C)C(=O)OC1c2ccccc2-c2ccccc21.Cl.
What is the InChIKey of 9H-fluoren-9-yl N-methyl-N-[2-(methylamino)ethyl]carbamate;hydrochloride?
The InChIKey is KETLHMOEDJTQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2.ClH/c1-19-11-12-20(2)18(21)22-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17;/h3-10,17,19H,11-12H2,1-2H3;1H.
What are the key properties of 9H-fluoren-9-yl N-methyl-N-[2-(methylamino)ethyl]carbamate;hydrochloride?
9H-fluoren-9-yl N-methyl-N-[2-(methylamino)ethyl]carbamate;hydrochloride has a molecular weight of 332.83 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-yl N-methyl-N-[2-(methylamino)ethyl]carbamate;hydrochloride is sourced from PubChem (CID 172594673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).