N-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine

C13H22N2O2 — CID 60686611

IUPACN-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine
SMILESCOc1ccc(OCCNCCN(C)C)cc1
InChIInChI=1S/C13H22N2O2/c1-15(2)10-8-14-9-11-17-13-6-4-12(16-3)5-7-13/h4-7,14H,8-11H2,1-3H3
InChIKeyAYLSGCJUJYCGLX-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.23
Rot. Bonds8

About N-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine

N-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 60686611) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID60686611
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine
SMILESCOc1ccc(OCCNCCN(C)C)cc1
InChIInChI=1S/C13H22N2O2/c1-15(2)10-8-14-9-11-17-13-6-4-12(16-3)5-7-13/h4-7,14H,8-11H2,1-3H3
InChIKeyAYLSGCJUJYCGLX-UHFFFAOYSA-N
XLogP1.23
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.23
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-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 55024417
N-[2-(3,5-dimethoxyphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 62598284
N',N'-dimethyl-N-[2-(4-propoxyphenoxy)ethyl]ethane-1,2-diamine
CID 60686693
N',N'-dimethyl-N-[2-(4-phenylphenoxy)ethyl]ethane-1,2-diamine
CID 2966313
N-(2-methoxyethyl)-3-(4-methoxyphenoxy)propan-1-amine
CID 60683313
N',N'-dimethyl-N-[4-(4-methylphenoxy)butyl]ethane-1,2-diamine
CID 82097769
6-N-[2-(dimethylamino)ethyl]-4-N-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112870237
3-iodo-N-[2-(4-methoxyphenoxy)ethyl]propan-1-amine
CID 114503775
2-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 39388259
N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methoxy-N-methylaniline
CID 110455054
N',N'-dimethyl-N-(2-quinolin-7-yloxyethyl)ethane-1,2-diamine
CID 107315215
N-[2-(4-chloro-3-fluorophenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 82727158

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine (CID 60686611) is N-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine is COc1ccc(OCCNCCN(C)C)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is AYLSGCJUJYCGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-15(2)10-8-14-9-11-17-13-6-4-12(16-3)5-7-13/h4-7,14H,8-11H2,1-3H3.
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine?
N-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 238.33 g/mol, XLogP of 1.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 60686611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).