2-[[2-(2-methoxyethoxy)anthracen-9-yl]methylamino]-2-methylpropane-1,3-diol

C22H27NO4 — CID 19738629

IUPAC2-[[2-(2-methoxyethoxy)anthracen-9-yl]methylamino]-2-methylpropane-1,3-diol
SMILESCOCCOc1ccc2cc3ccccc3c(CNC(C)(CO)CO)c2c1
InChIInChI=1S/C22H27NO4/c1-22(14-24,15-25)23-13-21-19-6-4-3-5-16(19)11-17-7-8-18(12-20(17)21)27-10-9-26-2/h3-8,11-12,23-25H,9-10,13-15H2,1-2H3
InChIKeyVDWZCGGPEGYGAR-UHFFFAOYSA-N
MW369.46 g/mol
LogP2.85
Rot. Bonds9

About 2-[[2-(2-methoxyethoxy)anthracen-9-yl]methylamino]-2-methylpropane-1,3-diol

2-[[2-(2-methoxyethoxy)anthracen-9-yl]methylamino]-2-methylpropane-1,3-diol (PubChem CID 19738629) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is 2-[[2-(2-methoxyethoxy)anthracen-9-yl]methylamino]-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name2-[[2-(2-methoxyethoxy)anthracen-9-yl]methylamino]-2-methylpropane-1,3-diol
PubChem CID19738629
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Name2-[[2-(2-methoxyethoxy)anthracen-9-yl]methylamino]-2-methylpropane-1,3-diol
SMILESCOCCOc1ccc2cc3ccccc3c(CNC(C)(CO)CO)c2c1
InChIInChI=1S/C22H27NO4/c1-22(14-24,15-25)23-13-21-19-6-4-3-5-16(19)11-17-7-8-18(12-20(17)21)27-10-9-26-2/h3-8,11-12,23-25H,9-10,13-15H2,1-2H3
InChIKeyVDWZCGGPEGYGAR-UHFFFAOYSA-N
XLogP2.85
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(benzo[a]anthracen-6-ylmethylamino)-2-methylpropane-1,3-diol
CID 21282422
2-methyl-2-[(10-methylanthracen-9-yl)methylamino]propane-1,3-diol
CID 13375294
2-(anthracen-9-ylmethylamino)-2-methylbutane-1,3-diol
CID 13375380
2-[(12-chlorotetracen-5-yl)methylamino]-2-methylpropane-1,3-diol;methanesulfonic acid
CID 14371431
2-(anthracen-9-ylmethylamino)-2-(ethoxymethyl)propane-1,3-diol;hydrochloride
CID 13375327
methanesulfonic acid;2-methyl-2-[(10-methylanthracen-9-yl)methylamino]propane-1,3-diol
CID 88618682
4-(2-methoxyethoxy)-N-naphthalen-2-ylbenzamide
CID 17232007
2-methyl-2-[[1-(2-naphthalen-2-yloxyethoxy)naphthalene-2-carbonyl]amino]propanoic acid
CID 24768906
2-[1-[2-(2-methoxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyethanol
CID 144623852
N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 54847698
1-(anthracen-9-ylmethylamino)-3-methoxypropan-2-ol
CID 111425237
2-(2-methoxyethoxy)-6-phenylnaphthalene
CID 139902348

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methoxyethoxy)anthracen-9-yl]methylamino]-2-methylpropane-1,3-diol?
The IUPAC name of 2-[[2-(2-methoxyethoxy)anthracen-9-yl]methylamino]-2-methylpropane-1,3-diol (CID 19738629) is 2-[[2-(2-methoxyethoxy)anthracen-9-yl]methylamino]-2-methylpropane-1,3-diol.
What is the SMILES notation for 2-[[2-(2-methoxyethoxy)anthracen-9-yl]methylamino]-2-methylpropane-1,3-diol?
The canonical SMILES for 2-[[2-(2-methoxyethoxy)anthracen-9-yl]methylamino]-2-methylpropane-1,3-diol is COCCOc1ccc2cc3ccccc3c(CNC(C)(CO)CO)c2c1.
What is the InChIKey of 2-[[2-(2-methoxyethoxy)anthracen-9-yl]methylamino]-2-methylpropane-1,3-diol?
The InChIKey is VDWZCGGPEGYGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4/c1-22(14-24,15-25)23-13-21-19-6-4-3-5-16(19)11-17-7-8-18(12-20(17)21)27-10-9-26-2/h3-8,11-12,23-25H,9-10,13-15H2,1-2H3.
What are the key properties of 2-[[2-(2-methoxyethoxy)anthracen-9-yl]methylamino]-2-methylpropane-1,3-diol?
2-[[2-(2-methoxyethoxy)anthracen-9-yl]methylamino]-2-methylpropane-1,3-diol has a molecular weight of 369.46 g/mol, XLogP of 2.85, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methoxyethoxy)anthracen-9-yl]methylamino]-2-methylpropane-1,3-diol is sourced from PubChem (CID 19738629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).