2-[3-(2,3-dimethoxyphenoxy)propylamino]ethanol

C13H21NO4 — CID 39260375

IUPAC2-[3-(2,3-dimethoxyphenoxy)propylamino]ethanol
SMILESCOc1cccc(OCCCNCCO)c1OC
InChIInChI=1S/C13H21NO4/c1-16-11-5-3-6-12(13(11)17-2)18-10-4-7-14-8-9-15/h3,5-6,14-15H,4,7-10H2,1-2H3
InChIKeyJLXVHFGKWRRYME-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.05
Rot. Bonds9

About 2-[3-(2,3-dimethoxyphenoxy)propylamino]ethanol

2-[3-(2,3-dimethoxyphenoxy)propylamino]ethanol (PubChem CID 39260375) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-[3-(2,3-dimethoxyphenoxy)propylamino]ethanol.

Molecular Properties

Compound Name2-[3-(2,3-dimethoxyphenoxy)propylamino]ethanol
PubChem CID39260375
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name2-[3-(2,3-dimethoxyphenoxy)propylamino]ethanol
SMILESCOc1cccc(OCCCNCCO)c1OC
InChIInChI=1S/C13H21NO4/c1-16-11-5-3-6-12(13(11)17-2)18-10-4-7-14-8-9-15/h3,5-6,14-15H,4,7-10H2,1-2H3
InChIKeyJLXVHFGKWRRYME-UHFFFAOYSA-N
XLogP1.05
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2,3-dimethylphenoxy)propylamino]ethanol
CID 2249838
3-(2,6-dimethoxyphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62571933
N-[2-(2,6-dimethoxyphenoxy)ethyl]-3-methoxypropan-1-amine
CID 62572083
2-[(2,3-dimethoxyphenyl)methylamino]ethanol
CID 4717256
1-butyl-3-[2-(2,3-dimethoxyphenoxy)ethyl]urea
CID 112975433
2-[3-(2,3-dichlorophenoxy)propylamino]ethanol chloride
CID 71297106
N-[2-(2,3-dimethoxyphenoxy)ethyl]pentanamide
CID 113101902
2-(2,3-dimethoxyanilino)ethanol
CID 174734615
2-[3-[(3,4,5-trimethoxyphenyl)methylamino]propylamino]ethanol
CID 17214225
5-(2,6-dimethoxyphenoxy)-N-propylpentan-1-amine
CID 62449814
ethanol;2-[8-(2-hydroxyethylamino)octoxy]phenol
CID 143846527
2-[[3-methoxy-2-(3-phenylpropoxy)phenyl]methylamino]ethanol
CID 92928362

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3-dimethoxyphenoxy)propylamino]ethanol?
The IUPAC name of 2-[3-(2,3-dimethoxyphenoxy)propylamino]ethanol (CID 39260375) is 2-[3-(2,3-dimethoxyphenoxy)propylamino]ethanol.
What is the SMILES notation for 2-[3-(2,3-dimethoxyphenoxy)propylamino]ethanol?
The canonical SMILES for 2-[3-(2,3-dimethoxyphenoxy)propylamino]ethanol is COc1cccc(OCCCNCCO)c1OC.
What is the InChIKey of 2-[3-(2,3-dimethoxyphenoxy)propylamino]ethanol?
The InChIKey is JLXVHFGKWRRYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-16-11-5-3-6-12(13(11)17-2)18-10-4-7-14-8-9-15/h3,5-6,14-15H,4,7-10H2,1-2H3.
What are the key properties of 2-[3-(2,3-dimethoxyphenoxy)propylamino]ethanol?
2-[3-(2,3-dimethoxyphenoxy)propylamino]ethanol has a molecular weight of 255.31 g/mol, XLogP of 1.05, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3-dimethoxyphenoxy)propylamino]ethanol is sourced from PubChem (CID 39260375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).