2-[[10-[[2-hydroxyethyl(methyl)amino]methyl]-9,10-dihydroanthracen-9-yl]methyl-methylamino]ethanol

C22H30N2O2 — CID 1136072

IUPAC2-[[10-[[2-hydroxyethyl(methyl)amino]methyl]-9,10-dihydroanthracen-9-yl]methyl-methylamino]ethanol
SMILESCN(CCO)CC1c2ccccc2C(CN(C)CCO)c2ccccc21
InChIInChI=1S/C22H30N2O2/c1-23(11-13-25)15-21-17-7-3-5-9-19(17)22(16-24(2)12-14-26)20-10-6-4-8-18(20)21/h3-10,21-22,25-26H,11-16H2,1-2H3
InChIKeyIMYHMODKXOOJOA-UHFFFAOYSA-N
MW354.49 g/mol
LogP2.11
Rot. Bonds8

About 2-[[10-[[2-hydroxyethyl(methyl)amino]methyl]-9,10-dihydroanthracen-9-yl]methyl-methylamino]ethanol

2-[[10-[[2-hydroxyethyl(methyl)amino]methyl]-9,10-dihydroanthracen-9-yl]methyl-methylamino]ethanol (PubChem CID 1136072) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 2-[[10-[[2-hydroxyethyl(methyl)amino]methyl]-9,10-dihydroanthracen-9-yl]methyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[[10-[[2-hydroxyethyl(methyl)amino]methyl]-9,10-dihydroanthracen-9-yl]methyl-methylamino]ethanol
PubChem CID1136072
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name2-[[10-[[2-hydroxyethyl(methyl)amino]methyl]-9,10-dihydroanthracen-9-yl]methyl-methylamino]ethanol
SMILESCN(CCO)CC1c2ccccc2C(CN(C)CCO)c2ccccc21
InChIInChI=1S/C22H30N2O2/c1-23(11-13-25)15-21-17-7-3-5-9-19(17)22(16-24(2)12-14-26)20-10-6-4-8-18(20)21/h3-10,21-22,25-26H,11-16H2,1-2H3
InChIKeyIMYHMODKXOOJOA-UHFFFAOYSA-N
XLogP2.11
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[10-[[2-hydroxyethyl(methyl)amino]methyl]-9,10-dihydroanthracen-9-yl]methyl-methylamino]ethanol?
The IUPAC name of 2-[[10-[[2-hydroxyethyl(methyl)amino]methyl]-9,10-dihydroanthracen-9-yl]methyl-methylamino]ethanol (CID 1136072) is 2-[[10-[[2-hydroxyethyl(methyl)amino]methyl]-9,10-dihydroanthracen-9-yl]methyl-methylamino]ethanol.
What is the SMILES notation for 2-[[10-[[2-hydroxyethyl(methyl)amino]methyl]-9,10-dihydroanthracen-9-yl]methyl-methylamino]ethanol?
The canonical SMILES for 2-[[10-[[2-hydroxyethyl(methyl)amino]methyl]-9,10-dihydroanthracen-9-yl]methyl-methylamino]ethanol is CN(CCO)CC1c2ccccc2C(CN(C)CCO)c2ccccc21.
What is the InChIKey of 2-[[10-[[2-hydroxyethyl(methyl)amino]methyl]-9,10-dihydroanthracen-9-yl]methyl-methylamino]ethanol?
The InChIKey is IMYHMODKXOOJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-23(11-13-25)15-21-17-7-3-5-9-19(17)22(16-24(2)12-14-26)20-10-6-4-8-18(20)21/h3-10,21-22,25-26H,11-16H2,1-2H3.
What are the key properties of 2-[[10-[[2-hydroxyethyl(methyl)amino]methyl]-9,10-dihydroanthracen-9-yl]methyl-methylamino]ethanol?
2-[[10-[[2-hydroxyethyl(methyl)amino]methyl]-9,10-dihydroanthracen-9-yl]methyl-methylamino]ethanol has a molecular weight of 354.49 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[10-[[2-hydroxyethyl(methyl)amino]methyl]-9,10-dihydroanthracen-9-yl]methyl-methylamino]ethanol is sourced from PubChem (CID 1136072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).