2-(2-chloro-5,6-dimethyl-9H-fluoren-9-yl)ethanamine

C17H18ClN — CID 82579220

IUPAC2-(2-chloro-5,6-dimethyl-9H-fluoren-9-yl)ethanamine
SMILESCc1ccc2c(c1C)-c1ccc(Cl)cc1C2CCN
InChIInChI=1S/C17H18ClN/c1-10-3-5-14-13(7-8-19)16-9-12(18)4-6-15(16)17(14)11(10)2/h3-6,9,13H,7-8,19H2,1-2H3
InChIKeyGNBOOUXNQOHFJN-UHFFFAOYSA-N
MW271.79 g/mol
LogP4.42
Rot. Bonds2

About 2-(2-chloro-5,6-dimethyl-9H-fluoren-9-yl)ethanamine

2-(2-chloro-5,6-dimethyl-9H-fluoren-9-yl)ethanamine (PubChem CID 82579220) has the molecular formula C17H18ClN and a molecular weight of 271.79 g/mol. Its IUPAC name is 2-(2-chloro-5,6-dimethyl-9H-fluoren-9-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-5,6-dimethyl-9H-fluoren-9-yl)ethanamine
PubChem CID82579220
Molecular FormulaC17H18ClN
Molecular Weight271.79 g/mol
Exact Mass271.11
IUPAC Name2-(2-chloro-5,6-dimethyl-9H-fluoren-9-yl)ethanamine
SMILESCc1ccc2c(c1C)-c1ccc(Cl)cc1C2CCN
InChIInChI=1S/C17H18ClN/c1-10-3-5-14-13(7-8-19)16-9-12(18)4-6-15(16)17(14)11(10)2/h3-6,9,13H,7-8,19H2,1-2H3
InChIKeyGNBOOUXNQOHFJN-UHFFFAOYSA-N
XLogP4.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5,6-dimethyl-9H-fluoren-9-yl)ethanamine?
The IUPAC name of 2-(2-chloro-5,6-dimethyl-9H-fluoren-9-yl)ethanamine (CID 82579220) is 2-(2-chloro-5,6-dimethyl-9H-fluoren-9-yl)ethanamine.
What is the SMILES notation for 2-(2-chloro-5,6-dimethyl-9H-fluoren-9-yl)ethanamine?
The canonical SMILES for 2-(2-chloro-5,6-dimethyl-9H-fluoren-9-yl)ethanamine is Cc1ccc2c(c1C)-c1ccc(Cl)cc1C2CCN.
What is the InChIKey of 2-(2-chloro-5,6-dimethyl-9H-fluoren-9-yl)ethanamine?
The InChIKey is GNBOOUXNQOHFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN/c1-10-3-5-14-13(7-8-19)16-9-12(18)4-6-15(16)17(14)11(10)2/h3-6,9,13H,7-8,19H2,1-2H3.
What are the key properties of 2-(2-chloro-5,6-dimethyl-9H-fluoren-9-yl)ethanamine?
2-(2-chloro-5,6-dimethyl-9H-fluoren-9-yl)ethanamine has a molecular weight of 271.79 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5,6-dimethyl-9H-fluoren-9-yl)ethanamine is sourced from PubChem (CID 82579220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).