9H-fluoren-9-yl N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)carbamate;hydrochloride

C24H23ClN2O2 — CID 168899418

IUPAC9H-fluoren-9-yl N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)carbamate;hydrochloride
SMILESCN(C(=O)OC1c2ccccc2-c2ccccc21)c1cccc2c1CNCC2.Cl
InChIInChI=1S/C24H22N2O2.ClH/c1-26(22-12-6-7-16-13-14-25-15-21(16)22)24(27)28-23-19-10-4-2-8-17(19)18-9-3-5-11-20(18)23;/h2-12,23,25H,13-15H2,1H3;1H
InChIKeyYDXAKFWPROZMFM-UHFFFAOYSA-N
MW406.91 g/mol
LogP5.10
Rot. Bonds2

About 9H-fluoren-9-yl N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)carbamate;hydrochloride

9H-fluoren-9-yl N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)carbamate;hydrochloride (PubChem CID 168899418) has the molecular formula C24H23ClN2O2 and a molecular weight of 406.91 g/mol. Its IUPAC name is 9H-fluoren-9-yl N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)carbamate;hydrochloride.

Molecular Properties

Compound Name9H-fluoren-9-yl N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)carbamate;hydrochloride
PubChem CID168899418
Molecular FormulaC24H23ClN2O2
Molecular Weight406.91 g/mol
Exact Mass406.14
IUPAC Name9H-fluoren-9-yl N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)carbamate;hydrochloride
SMILESCN(C(=O)OC1c2ccccc2-c2ccccc21)c1cccc2c1CNCC2.Cl
InChIInChI=1S/C24H22N2O2.ClH/c1-26(22-12-6-7-16-13-14-25-15-21(16)22)24(27)28-23-19-10-4-2-8-17(19)18-9-3-5-11-20(18)23;/h2-12,23,25H,13-15H2,1H3;1H
InChIKeyYDXAKFWPROZMFM-UHFFFAOYSA-N
XLogP5.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.91
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-yl N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)carbamate;hydrochloride?
The IUPAC name of 9H-fluoren-9-yl N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)carbamate;hydrochloride (CID 168899418) is 9H-fluoren-9-yl N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)carbamate;hydrochloride.
What is the SMILES notation for 9H-fluoren-9-yl N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)carbamate;hydrochloride?
The canonical SMILES for 9H-fluoren-9-yl N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)carbamate;hydrochloride is CN(C(=O)OC1c2ccccc2-c2ccccc21)c1cccc2c1CNCC2.Cl.
What is the InChIKey of 9H-fluoren-9-yl N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)carbamate;hydrochloride?
The InChIKey is YDXAKFWPROZMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2.ClH/c1-26(22-12-6-7-16-13-14-25-15-21(16)22)24(27)28-23-19-10-4-2-8-17(19)18-9-3-5-11-20(18)23;/h2-12,23,25H,13-15H2,1H3;1H.
What are the key properties of 9H-fluoren-9-yl N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)carbamate;hydrochloride?
9H-fluoren-9-yl N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)carbamate;hydrochloride has a molecular weight of 406.91 g/mol, XLogP of 5.10, 2 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-(1,2,3,4-tetrahydroisoquinolin-8-yl)carbamate;hydrochloride is sourced from PubChem (CID 168899418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).