2-[[9-(aminomethyl)-5-chloro-9H-fluoren-2-yl]oxy]-N,N-dimethylethanamine

C18H21ClN2O — CID 82579368

IUPAC2-[[9-(aminomethyl)-5-chloro-9H-fluoren-2-yl]oxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1ccc2c(c1)C(CN)c1cccc(Cl)c1-2
InChIInChI=1S/C18H21ClN2O/c1-21(2)8-9-22-12-6-7-14-15(10-12)16(11-20)13-4-3-5-17(19)18(13)14/h3-7,10,16H,8-9,11,20H2,1-2H3
InChIKeyADWVLXFMFJSRRC-UHFFFAOYSA-N
MW316.83 g/mol
LogP3.35
Rot. Bonds5

About 2-[[9-(aminomethyl)-5-chloro-9H-fluoren-2-yl]oxy]-N,N-dimethylethanamine

2-[[9-(aminomethyl)-5-chloro-9H-fluoren-2-yl]oxy]-N,N-dimethylethanamine (PubChem CID 82579368) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 2-[[9-(aminomethyl)-5-chloro-9H-fluoren-2-yl]oxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[[9-(aminomethyl)-5-chloro-9H-fluoren-2-yl]oxy]-N,N-dimethylethanamine
PubChem CID82579368
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name2-[[9-(aminomethyl)-5-chloro-9H-fluoren-2-yl]oxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1ccc2c(c1)C(CN)c1cccc(Cl)c1-2
InChIInChI=1S/C18H21ClN2O/c1-21(2)8-9-22-12-6-7-14-15(10-12)16(11-20)13-4-3-5-17(19)18(13)14/h3-7,10,16H,8-9,11,20H2,1-2H3
InChIKeyADWVLXFMFJSRRC-UHFFFAOYSA-N
XLogP3.35
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[9-(aminomethyl)-5-chloro-9H-fluoren-2-yl]oxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[[9-(aminomethyl)-5-chloro-9H-fluoren-2-yl]oxy]-N,N-dimethylethanamine (CID 82579368) is 2-[[9-(aminomethyl)-5-chloro-9H-fluoren-2-yl]oxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[[9-(aminomethyl)-5-chloro-9H-fluoren-2-yl]oxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[[9-(aminomethyl)-5-chloro-9H-fluoren-2-yl]oxy]-N,N-dimethylethanamine is CN(C)CCOc1ccc2c(c1)C(CN)c1cccc(Cl)c1-2.
What is the InChIKey of 2-[[9-(aminomethyl)-5-chloro-9H-fluoren-2-yl]oxy]-N,N-dimethylethanamine?
The InChIKey is ADWVLXFMFJSRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-21(2)8-9-22-12-6-7-14-15(10-12)16(11-20)13-4-3-5-17(19)18(13)14/h3-7,10,16H,8-9,11,20H2,1-2H3.
What are the key properties of 2-[[9-(aminomethyl)-5-chloro-9H-fluoren-2-yl]oxy]-N,N-dimethylethanamine?
2-[[9-(aminomethyl)-5-chloro-9H-fluoren-2-yl]oxy]-N,N-dimethylethanamine has a molecular weight of 316.83 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[9-(aminomethyl)-5-chloro-9H-fluoren-2-yl]oxy]-N,N-dimethylethanamine is sourced from PubChem (CID 82579368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).