2-methyl-2-[(10-methylanthracen-9-yl)methylamino]propane-1,3-diol

C20H23NO2 — CID 13375294

IUPAC2-methyl-2-[(10-methylanthracen-9-yl)methylamino]propane-1,3-diol
SMILESCc1c2ccccc2c(CNC(C)(CO)CO)c2ccccc12
InChIInChI=1S/C20H23NO2/c1-14-15-7-3-5-9-17(15)19(11-21-20(2,12-22)13-23)18-10-6-4-8-16(14)18/h3-10,21-23H,11-13H2,1-2H3
InChIKeySKKLYHCODMXQEG-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.13
Rot. Bonds5

About 2-methyl-2-[(10-methylanthracen-9-yl)methylamino]propane-1,3-diol

2-methyl-2-[(10-methylanthracen-9-yl)methylamino]propane-1,3-diol (PubChem CID 13375294) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-methyl-2-[(10-methylanthracen-9-yl)methylamino]propane-1,3-diol.

Molecular Properties

Compound Name2-methyl-2-[(10-methylanthracen-9-yl)methylamino]propane-1,3-diol
PubChem CID13375294
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name2-methyl-2-[(10-methylanthracen-9-yl)methylamino]propane-1,3-diol
SMILESCc1c2ccccc2c(CNC(C)(CO)CO)c2ccccc12
InChIInChI=1S/C20H23NO2/c1-14-15-7-3-5-9-17(15)19(11-21-20(2,12-22)13-23)18-10-6-4-8-16(14)18/h3-10,21-23H,11-13H2,1-2H3
InChIKeySKKLYHCODMXQEG-UHFFFAOYSA-N
XLogP3.13
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(10-methylanthracen-9-yl)methylamino]propane-1,3-diol?
The IUPAC name of 2-methyl-2-[(10-methylanthracen-9-yl)methylamino]propane-1,3-diol (CID 13375294) is 2-methyl-2-[(10-methylanthracen-9-yl)methylamino]propane-1,3-diol.
What is the SMILES notation for 2-methyl-2-[(10-methylanthracen-9-yl)methylamino]propane-1,3-diol?
The canonical SMILES for 2-methyl-2-[(10-methylanthracen-9-yl)methylamino]propane-1,3-diol is Cc1c2ccccc2c(CNC(C)(CO)CO)c2ccccc12.
What is the InChIKey of 2-methyl-2-[(10-methylanthracen-9-yl)methylamino]propane-1,3-diol?
The InChIKey is SKKLYHCODMXQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-14-15-7-3-5-9-17(15)19(11-21-20(2,12-22)13-23)18-10-6-4-8-16(14)18/h3-10,21-23H,11-13H2,1-2H3.
What are the key properties of 2-methyl-2-[(10-methylanthracen-9-yl)methylamino]propane-1,3-diol?
2-methyl-2-[(10-methylanthracen-9-yl)methylamino]propane-1,3-diol has a molecular weight of 309.41 g/mol, XLogP of 3.13, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(10-methylanthracen-9-yl)methylamino]propane-1,3-diol is sourced from PubChem (CID 13375294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).