3-[(4,8-dimethoxynaphthalen-1-yl)methyl-methylamino]propane-1,2-diol

C17H23NO4 — CID 77094953

IUPAC3-[(4,8-dimethoxynaphthalen-1-yl)methyl-methylamino]propane-1,2-diol
SMILESCOc1ccc(CN(C)CC(O)CO)c2c(OC)cccc12
InChIInChI=1S/C17H23NO4/c1-18(10-13(20)11-19)9-12-7-8-15(21-2)14-5-4-6-16(22-3)17(12)14/h4-8,13,19-20H,9-11H2,1-3H3
InChIKeyGZOXPQOZGMLARS-UHFFFAOYSA-N
MW305.37 g/mol
LogP1.64
Rot. Bonds7

About 3-[(4,8-dimethoxynaphthalen-1-yl)methyl-methylamino]propane-1,2-diol

3-[(4,8-dimethoxynaphthalen-1-yl)methyl-methylamino]propane-1,2-diol (PubChem CID 77094953) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 3-[(4,8-dimethoxynaphthalen-1-yl)methyl-methylamino]propane-1,2-diol.

Molecular Properties

Compound Name3-[(4,8-dimethoxynaphthalen-1-yl)methyl-methylamino]propane-1,2-diol
PubChem CID77094953
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name3-[(4,8-dimethoxynaphthalen-1-yl)methyl-methylamino]propane-1,2-diol
SMILESCOc1ccc(CN(C)CC(O)CO)c2c(OC)cccc12
InChIInChI=1S/C17H23NO4/c1-18(10-13(20)11-19)9-12-7-8-15(21-2)14-5-4-6-16(22-3)17(12)14/h4-8,13,19-20H,9-11H2,1-3H3
InChIKeyGZOXPQOZGMLARS-UHFFFAOYSA-N
XLogP1.64
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(4,8-dimethoxynaphthalen-1-yl)methyl-methylamino]propane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]propane-1,2-diol
CID 115122202
N-(2,3-dihydroxypropyl)-N-[(4-methoxynaphthalen-1-yl)methyl]acetamide
CID 143922895
1-(4,8-dimethoxynaphthalen-1-yl)-2-(dimethylamino)ethanol;hydrochloride
CID 20541912
1-amino-3-[(4-methoxy-2,3-dimethylphenyl)methyl-methylamino]propan-2-ol
CID 115121516
(2R)-1-[(2,3-dimethoxyphenyl)methyl-methylamino]-3-(2,6-dimethylphenoxy)propan-2-ol
CID 31085223
3-[(2-chloro-4-methoxyphenyl)methyl-methylamino]propane-1,2-diol
CID 115122219
3-[2-(3-ethyl-4-methoxyphenyl)ethyl-methylamino]propane-1,2-diol
CID 115122415
3-[(3-methoxyphenyl)methyl-methylamino]propane-1,2-diol
CID 78907088
3-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]propane-1,2-diol
CID 115122416
1-[(2-methoxyphenyl)methyl-methylamino]-3-(2,3,6-trimethylphenoxy)propan-2-ol
CID 17471423
1-amino-3-[(2,4-dimethoxyphenyl)methyl-methylamino]propan-2-ol
CID 115121489
1-(4-fluorophenoxy)-3-[(2-methoxyphenyl)methyl-methylamino]propan-2-ol
CID 110877418

Frequently Asked Questions

What is the IUPAC name of 3-[(4,8-dimethoxynaphthalen-1-yl)methyl-methylamino]propane-1,2-diol?
The IUPAC name of 3-[(4,8-dimethoxynaphthalen-1-yl)methyl-methylamino]propane-1,2-diol (CID 77094953) is 3-[(4,8-dimethoxynaphthalen-1-yl)methyl-methylamino]propane-1,2-diol.
What is the SMILES notation for 3-[(4,8-dimethoxynaphthalen-1-yl)methyl-methylamino]propane-1,2-diol?
The canonical SMILES for 3-[(4,8-dimethoxynaphthalen-1-yl)methyl-methylamino]propane-1,2-diol is COc1ccc(CN(C)CC(O)CO)c2c(OC)cccc12.
What is the InChIKey of 3-[(4,8-dimethoxynaphthalen-1-yl)methyl-methylamino]propane-1,2-diol?
The InChIKey is GZOXPQOZGMLARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-18(10-13(20)11-19)9-12-7-8-15(21-2)14-5-4-6-16(22-3)17(12)14/h4-8,13,19-20H,9-11H2,1-3H3.
What are the key properties of 3-[(4,8-dimethoxynaphthalen-1-yl)methyl-methylamino]propane-1,2-diol?
3-[(4,8-dimethoxynaphthalen-1-yl)methyl-methylamino]propane-1,2-diol has a molecular weight of 305.37 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,8-dimethoxynaphthalen-1-yl)methyl-methylamino]propane-1,2-diol is sourced from PubChem (CID 77094953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).