2-[2-[(4-methoxyphenyl)methyl-methylamino]ethoxy]ethanol

C13H21NO3 — CID 61417751

IUPAC2-[2-[(4-methoxyphenyl)methyl-methylamino]ethoxy]ethanol
SMILESCOc1ccc(CN(C)CCOCCO)cc1
InChIInChI=1S/C13H21NO3/c1-14(7-9-17-10-8-15)11-12-3-5-13(16-2)6-4-12/h3-6,15H,7-11H2,1-2H3
InChIKeyLUEXRABXFJLJEG-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.14
Rot. Bonds8

About 2-[2-[(4-methoxyphenyl)methyl-methylamino]ethoxy]ethanol

2-[2-[(4-methoxyphenyl)methyl-methylamino]ethoxy]ethanol (PubChem CID 61417751) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-[2-[(4-methoxyphenyl)methyl-methylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(4-methoxyphenyl)methyl-methylamino]ethoxy]ethanol
PubChem CID61417751
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-[2-[(4-methoxyphenyl)methyl-methylamino]ethoxy]ethanol
SMILESCOc1ccc(CN(C)CCOCCO)cc1
InChIInChI=1S/C13H21NO3/c1-14(7-9-17-10-8-15)11-12-3-5-13(16-2)6-4-12/h3-6,15H,7-11H2,1-2H3
InChIKeyLUEXRABXFJLJEG-UHFFFAOYSA-N
XLogP1.14
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 122609914
3-bromo-N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 61417517
2-[2-[2-[2-[2-[2-[[4-(dimethylamino)phenyl]methyl-[(4-methoxyphenyl)methyl]carbamoyl]oxyethoxy]ethoxy]ethyl-methylamino]ethoxy]ethoxy]ethyl N-[[4-(dimethylamino)phenyl]methyl]-N-[(4-methoxyphenyl)methyl]carbamate
CID 164739760
1-(4-fluorophenyl)-3-[2-(2-hydroxyethoxy)ethyl-methylamino]propan-2-one
CID 114243242
3-[2-[2-[2-[2-[2-[2-[benzyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-ol
CID 176613357
2-methoxy-N-[[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]methyl]-N-methylethanamine
CID 171480765
N-benzyl-3-[(4-methoxyphenyl)methoxy]-N-methylpropan-1-amine
CID 14909645
anisole;2-(2-hydroxyethoxy)ethanol
CID 21463823
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]ethanol
CID 110901993
9-[(4-methoxyphenyl)methyl-methylamino]nonane-1-thiol
CID 105344151
2-[2-[2-[2-[4-[(4-methoxyphenyl)diazenyl]-N-methylanilino]ethoxy]ethoxy]ethoxy]ethanol
CID 122208894
4-[(4-methoxyphenyl)methyl-methylamino]butanethioamide
CID 61420617

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methoxyphenyl)methyl-methylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(4-methoxyphenyl)methyl-methylamino]ethoxy]ethanol (CID 61417751) is 2-[2-[(4-methoxyphenyl)methyl-methylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(4-methoxyphenyl)methyl-methylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(4-methoxyphenyl)methyl-methylamino]ethoxy]ethanol is COc1ccc(CN(C)CCOCCO)cc1.
What is the InChIKey of 2-[2-[(4-methoxyphenyl)methyl-methylamino]ethoxy]ethanol?
The InChIKey is LUEXRABXFJLJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-14(7-9-17-10-8-15)11-12-3-5-13(16-2)6-4-12/h3-6,15H,7-11H2,1-2H3.
What are the key properties of 2-[2-[(4-methoxyphenyl)methyl-methylamino]ethoxy]ethanol?
2-[2-[(4-methoxyphenyl)methyl-methylamino]ethoxy]ethanol has a molecular weight of 239.31 g/mol, XLogP of 1.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methoxyphenyl)methyl-methylamino]ethoxy]ethanol is sourced from PubChem (CID 61417751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).