2-[2-[[2-(dimethylamino)ethylamino]methyl]-6-methoxyphenoxy]acetic acid

C14H22N2O4 — CID 102536745

IUPAC2-[2-[[2-(dimethylamino)ethylamino]methyl]-6-methoxyphenoxy]acetic acid
SMILESCOc1cccc(CNCCN(C)C)c1OCC(=O)O
InChIInChI=1S/C14H22N2O4/c1-16(2)8-7-15-9-11-5-4-6-12(19-3)14(11)20-10-13(17)18/h4-6,15H,7-10H2,1-3H3,(H,17,18)
InChIKeyJBIOIBICLRYJTM-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.81
Rot. Bonds9

About 2-[2-[[2-(dimethylamino)ethylamino]methyl]-6-methoxyphenoxy]acetic acid

2-[2-[[2-(dimethylamino)ethylamino]methyl]-6-methoxyphenoxy]acetic acid (PubChem CID 102536745) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[2-[[2-(dimethylamino)ethylamino]methyl]-6-methoxyphenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[2-(dimethylamino)ethylamino]methyl]-6-methoxyphenoxy]acetic acid
PubChem CID102536745
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name2-[2-[[2-(dimethylamino)ethylamino]methyl]-6-methoxyphenoxy]acetic acid
SMILESCOc1cccc(CNCCN(C)C)c1OCC(=O)O
InChIInChI=1S/C14H22N2O4/c1-16(2)8-7-15-9-11-5-4-6-12(19-3)14(11)20-10-13(17)18/h4-6,15H,7-10H2,1-3H3,(H,17,18)
InChIKeyJBIOIBICLRYJTM-UHFFFAOYSA-N
XLogP0.81
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.81
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-[2-methoxy-6-[(2-methoxyethylamino)methyl]phenoxy]-N,N-dimethylacetamide
CID 63056439
2-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methylamino]ethanol
CID 39289555
2-[2-[(1-hydroxybutan-2-ylamino)methyl]-6-methoxyphenoxy]acetic acid
CID 102535747
2-[2-[(cyclopentylamino)methyl]-6-methoxyphenoxy]acetic acid
CID 102535746
2-[2-methoxy-6-(propylaminomethyl)phenoxy]-N-methylacetamide
CID 43472013
2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetic acid
CID 102535781
2-[2-methoxy-6-(nitrosomethyl)phenoxy]acetic acid
CID 54487376
N-ethyl-2-[2-methoxy-6-[(2-methoxyethylamino)methyl]phenoxy]acetamide
CID 63056273
2-methoxy-N-[[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine
CID 54849799
N-[(2-methoxy-3-methylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 97179205
N-cyclopropyl-2-[2-methoxy-6-(propylaminomethyl)phenoxy]acetamide
CID 43472022
N-tert-butyl-2-[2-(butylaminomethyl)-6-methoxyphenoxy]acetamide
CID 6472728

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(dimethylamino)ethylamino]methyl]-6-methoxyphenoxy]acetic acid?
The IUPAC name of 2-[2-[[2-(dimethylamino)ethylamino]methyl]-6-methoxyphenoxy]acetic acid (CID 102536745) is 2-[2-[[2-(dimethylamino)ethylamino]methyl]-6-methoxyphenoxy]acetic acid.
What is the SMILES notation for 2-[2-[[2-(dimethylamino)ethylamino]methyl]-6-methoxyphenoxy]acetic acid?
The canonical SMILES for 2-[2-[[2-(dimethylamino)ethylamino]methyl]-6-methoxyphenoxy]acetic acid is COc1cccc(CNCCN(C)C)c1OCC(=O)O.
What is the InChIKey of 2-[2-[[2-(dimethylamino)ethylamino]methyl]-6-methoxyphenoxy]acetic acid?
The InChIKey is JBIOIBICLRYJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-16(2)8-7-15-9-11-5-4-6-12(19-3)14(11)20-10-13(17)18/h4-6,15H,7-10H2,1-3H3,(H,17,18).
What are the key properties of 2-[2-[[2-(dimethylamino)ethylamino]methyl]-6-methoxyphenoxy]acetic acid?
2-[2-[[2-(dimethylamino)ethylamino]methyl]-6-methoxyphenoxy]acetic acid has a molecular weight of 282.34 g/mol, XLogP of 0.81, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(dimethylamino)ethylamino]methyl]-6-methoxyphenoxy]acetic acid is sourced from PubChem (CID 102536745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).