2-(2-tert-butyl-7-fluoro-9H-fluoren-9-yl)ethanamine

C19H22FN — CID 82579139

IUPAC2-(2-tert-butyl-7-fluoro-9H-fluoren-9-yl)ethanamine
SMILESCC(C)(C)c1ccc2c(c1)C(CCN)c1cc(F)ccc1-2
InChIInChI=1S/C19H22FN/c1-19(2,3)12-4-6-14-15-7-5-13(20)11-18(15)16(8-9-21)17(14)10-12/h4-7,10-11,16H,8-9,21H2,1-3H3
InChIKeyPOTHTUVXMZMDSI-UHFFFAOYSA-N
MW283.39 g/mol
LogP4.58
Rot. Bonds2

About 2-(2-tert-butyl-7-fluoro-9H-fluoren-9-yl)ethanamine

2-(2-tert-butyl-7-fluoro-9H-fluoren-9-yl)ethanamine (PubChem CID 82579139) has the molecular formula C19H22FN and a molecular weight of 283.39 g/mol. Its IUPAC name is 2-(2-tert-butyl-7-fluoro-9H-fluoren-9-yl)ethanamine.

Molecular Properties

Compound Name2-(2-tert-butyl-7-fluoro-9H-fluoren-9-yl)ethanamine
PubChem CID82579139
Molecular FormulaC19H22FN
Molecular Weight283.39 g/mol
Exact Mass283.17
IUPAC Name2-(2-tert-butyl-7-fluoro-9H-fluoren-9-yl)ethanamine
SMILESCC(C)(C)c1ccc2c(c1)C(CCN)c1cc(F)ccc1-2
InChIInChI=1S/C19H22FN/c1-19(2,3)12-4-6-14-15-7-5-13(20)11-18(15)16(8-9-21)17(14)10-12/h4-7,10-11,16H,8-9,21H2,1-3H3
InChIKeyPOTHTUVXMZMDSI-UHFFFAOYSA-N
XLogP4.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-7-fluoro-9H-fluoren-9-yl)ethanamine?
The IUPAC name of 2-(2-tert-butyl-7-fluoro-9H-fluoren-9-yl)ethanamine (CID 82579139) is 2-(2-tert-butyl-7-fluoro-9H-fluoren-9-yl)ethanamine.
What is the SMILES notation for 2-(2-tert-butyl-7-fluoro-9H-fluoren-9-yl)ethanamine?
The canonical SMILES for 2-(2-tert-butyl-7-fluoro-9H-fluoren-9-yl)ethanamine is CC(C)(C)c1ccc2c(c1)C(CCN)c1cc(F)ccc1-2.
What is the InChIKey of 2-(2-tert-butyl-7-fluoro-9H-fluoren-9-yl)ethanamine?
The InChIKey is POTHTUVXMZMDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN/c1-19(2,3)12-4-6-14-15-7-5-13(20)11-18(15)16(8-9-21)17(14)10-12/h4-7,10-11,16H,8-9,21H2,1-3H3.
What are the key properties of 2-(2-tert-butyl-7-fluoro-9H-fluoren-9-yl)ethanamine?
2-(2-tert-butyl-7-fluoro-9H-fluoren-9-yl)ethanamine has a molecular weight of 283.39 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-7-fluoro-9H-fluoren-9-yl)ethanamine is sourced from PubChem (CID 82579139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).