1-(9,9-dimethylfluoren-2-yl)-4-(methylamino)butane-1,2-diol

C20H25NO2 — CID 171891251

IUPAC1-(9,9-dimethylfluoren-2-yl)-4-(methylamino)butane-1,2-diol
SMILESCNCCC(O)C(O)c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C20H25NO2/c1-20(2)16-7-5-4-6-14(16)15-9-8-13(12-17(15)20)19(23)18(22)10-11-21-3/h4-9,12,18-19,21-23H,10-11H2,1-3H3
InChIKeyFHDHJOCTKZDYMD-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.00
Rot. Bonds5

About 1-(9,9-dimethylfluoren-2-yl)-4-(methylamino)butane-1,2-diol

1-(9,9-dimethylfluoren-2-yl)-4-(methylamino)butane-1,2-diol (PubChem CID 171891251) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-(9,9-dimethylfluoren-2-yl)-4-(methylamino)butane-1,2-diol.

Molecular Properties

Compound Name1-(9,9-dimethylfluoren-2-yl)-4-(methylamino)butane-1,2-diol
PubChem CID171891251
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name1-(9,9-dimethylfluoren-2-yl)-4-(methylamino)butane-1,2-diol
SMILESCNCCC(O)C(O)c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C20H25NO2/c1-20(2)16-7-5-4-6-14(16)15-9-8-13(12-17(15)20)19(23)18(22)10-11-21-3/h4-9,12,18-19,21-23H,10-11H2,1-3H3
InChIKeyFHDHJOCTKZDYMD-UHFFFAOYSA-N
XLogP3.00
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(9,9-dimethylfluoren-2-yl)-4-(methylamino)butane-1,2-diol?
The IUPAC name of 1-(9,9-dimethylfluoren-2-yl)-4-(methylamino)butane-1,2-diol (CID 171891251) is 1-(9,9-dimethylfluoren-2-yl)-4-(methylamino)butane-1,2-diol.
What is the SMILES notation for 1-(9,9-dimethylfluoren-2-yl)-4-(methylamino)butane-1,2-diol?
The canonical SMILES for 1-(9,9-dimethylfluoren-2-yl)-4-(methylamino)butane-1,2-diol is CNCCC(O)C(O)c1ccc2c(c1)C(C)(C)c1ccccc1-2.
What is the InChIKey of 1-(9,9-dimethylfluoren-2-yl)-4-(methylamino)butane-1,2-diol?
The InChIKey is FHDHJOCTKZDYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-20(2)16-7-5-4-6-14(16)15-9-8-13(12-17(15)20)19(23)18(22)10-11-21-3/h4-9,12,18-19,21-23H,10-11H2,1-3H3.
What are the key properties of 1-(9,9-dimethylfluoren-2-yl)-4-(methylamino)butane-1,2-diol?
1-(9,9-dimethylfluoren-2-yl)-4-(methylamino)butane-1,2-diol has a molecular weight of 311.43 g/mol, XLogP of 3.00, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9,9-dimethylfluoren-2-yl)-4-(methylamino)butane-1,2-diol is sourced from PubChem (CID 171891251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).