10-[3-(dimethylamino)propyl]-9H-anthracene-9,10-diol

C19H23NO2 — CID 24977688

IUPAC10-[3-(dimethylamino)propyl]-9H-anthracene-9,10-diol
SMILESCN(C)CCCC1(O)c2ccccc2C(O)c2ccccc21
InChIInChI=1S/C19H23NO2/c1-20(2)13-7-12-19(22)16-10-5-3-8-14(16)18(21)15-9-4-6-11-17(15)19/h3-6,8-11,18,21-22H,7,12-13H2,1-2H3
InChIKeyGOTIYLWSHRPFEH-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.66
Rot. Bonds4

About 10-[3-(dimethylamino)propyl]-9H-anthracene-9,10-diol

10-[3-(dimethylamino)propyl]-9H-anthracene-9,10-diol (PubChem CID 24977688) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 10-[3-(dimethylamino)propyl]-9H-anthracene-9,10-diol.

Molecular Properties

Compound Name10-[3-(dimethylamino)propyl]-9H-anthracene-9,10-diol
PubChem CID24977688
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name10-[3-(dimethylamino)propyl]-9H-anthracene-9,10-diol
SMILESCN(C)CCCC1(O)c2ccccc2C(O)c2ccccc21
InChIInChI=1S/C19H23NO2/c1-20(2)13-7-12-19(22)16-10-5-3-8-14(16)18(21)15-9-4-6-11-17(15)19/h3-6,8-11,18,21-22H,7,12-13H2,1-2H3
InChIKeyGOTIYLWSHRPFEH-UHFFFAOYSA-N
XLogP2.66
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-[3-(dimethylamino)propyl]-9H-anthracene-9,10-diol?
The IUPAC name of 10-[3-(dimethylamino)propyl]-9H-anthracene-9,10-diol (CID 24977688) is 10-[3-(dimethylamino)propyl]-9H-anthracene-9,10-diol.
What is the SMILES notation for 10-[3-(dimethylamino)propyl]-9H-anthracene-9,10-diol?
The canonical SMILES for 10-[3-(dimethylamino)propyl]-9H-anthracene-9,10-diol is CN(C)CCCC1(O)c2ccccc2C(O)c2ccccc21.
What is the InChIKey of 10-[3-(dimethylamino)propyl]-9H-anthracene-9,10-diol?
The InChIKey is GOTIYLWSHRPFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-20(2)13-7-12-19(22)16-10-5-3-8-14(16)18(21)15-9-4-6-11-17(15)19/h3-6,8-11,18,21-22H,7,12-13H2,1-2H3.
What are the key properties of 10-[3-(dimethylamino)propyl]-9H-anthracene-9,10-diol?
10-[3-(dimethylamino)propyl]-9H-anthracene-9,10-diol has a molecular weight of 297.40 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(dimethylamino)propyl]-9H-anthracene-9,10-diol is sourced from PubChem (CID 24977688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).