2-[2-[1-(4-methoxyphenyl)propan-2-ylamino]ethoxy]ethanol

C14H23NO3 — CID 43508806

IUPAC2-[2-[1-(4-methoxyphenyl)propan-2-ylamino]ethoxy]ethanol
SMILESCOc1ccc(CC(C)NCCOCCO)cc1
InChIInChI=1S/C14H23NO3/c1-12(15-7-9-18-10-8-16)11-13-3-5-14(17-2)6-4-13/h3-6,12,15-16H,7-11H2,1-2H3
InChIKeyVHXHGDJSJDTOLR-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.22
Rot. Bonds9

About 2-[2-[1-(4-methoxyphenyl)propan-2-ylamino]ethoxy]ethanol

2-[2-[1-(4-methoxyphenyl)propan-2-ylamino]ethoxy]ethanol (PubChem CID 43508806) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-[2-[1-(4-methoxyphenyl)propan-2-ylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[1-(4-methoxyphenyl)propan-2-ylamino]ethoxy]ethanol
PubChem CID43508806
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-[2-[1-(4-methoxyphenyl)propan-2-ylamino]ethoxy]ethanol
SMILESCOc1ccc(CC(C)NCCOCCO)cc1
InChIInChI=1S/C14H23NO3/c1-12(15-7-9-18-10-8-16)11-13-3-5-14(17-2)6-4-13/h3-6,12,15-16H,7-11H2,1-2H3
InChIKeyVHXHGDJSJDTOLR-UHFFFAOYSA-N
XLogP1.22
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-[1-(4-methoxyphenyl)propan-2-ylamino]ethoxy]ethanol 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

2-[2-[1-(4-aminophenyl)propan-2-ylamino]ethoxy]ethanol
CID 82257190
(2R)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962704
(2S)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962702
1-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]propan-2-amine
CID 43508791
N-[1-(4-methoxyphenyl)propan-2-yl]-4-methylpentan-1-amine
CID 54914161
[4-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]phenyl]methanol
CID 107230230
2-[2-[1-(6-methoxynaphthalen-2-yl)ethylamino]ethoxy]ethanol
CID 43207599
3,3,3-trifluoro-N-[1-(4-methoxyphenyl)propan-2-yl]propan-1-amine
CID 63226596
1-(4-methoxyphenyl)-N-(2-phenylethyl)propan-2-amine
CID 43508719
N-[1-(4-methoxyphenyl)propan-2-yl]-3-methylsulfanylbutan-1-amine
CID 115716045
N-(2-methoxyethyl)-3-[1-(4-methoxyphenyl)propan-2-ylamino]propanamide
CID 115711920
N-(2-butoxyethyl)-1-(4-fluorophenyl)propan-2-amine
CID 62997090

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(4-methoxyphenyl)propan-2-ylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[1-(4-methoxyphenyl)propan-2-ylamino]ethoxy]ethanol (CID 43508806) is 2-[2-[1-(4-methoxyphenyl)propan-2-ylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[1-(4-methoxyphenyl)propan-2-ylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[1-(4-methoxyphenyl)propan-2-ylamino]ethoxy]ethanol is COc1ccc(CC(C)NCCOCCO)cc1.
What is the InChIKey of 2-[2-[1-(4-methoxyphenyl)propan-2-ylamino]ethoxy]ethanol?
The InChIKey is VHXHGDJSJDTOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-12(15-7-9-18-10-8-16)11-13-3-5-14(17-2)6-4-13/h3-6,12,15-16H,7-11H2,1-2H3.
What are the key properties of 2-[2-[1-(4-methoxyphenyl)propan-2-ylamino]ethoxy]ethanol?
2-[2-[1-(4-methoxyphenyl)propan-2-ylamino]ethoxy]ethanol has a molecular weight of 253.34 g/mol, XLogP of 1.22, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(4-methoxyphenyl)propan-2-ylamino]ethoxy]ethanol is sourced from PubChem (CID 43508806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).