N-[2-(3,5-dimethoxyphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine

C14H24N2O3 — CID 62598284

IUPACN-[2-(3,5-dimethoxyphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine
SMILESCOc1cc(OC)cc(OCCNCCN(C)C)c1
InChIInChI=1S/C14H24N2O3/c1-16(2)7-5-15-6-8-19-14-10-12(17-3)9-13(11-14)18-4/h9-11,15H,5-8H2,1-4H3
InChIKeyQWZVJWOIBVPRES-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.23
Rot. Bonds9

About N-[2-(3,5-dimethoxyphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine

N-[2-(3,5-dimethoxyphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 62598284) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[2-(3,5-dimethoxyphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-(3,5-dimethoxyphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID62598284
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC NameN-[2-(3,5-dimethoxyphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine
SMILESCOc1cc(OC)cc(OCCNCCN(C)C)c1
InChIInChI=1S/C14H24N2O3/c1-16(2)7-5-15-6-8-19-14-10-12(17-3)9-13(11-14)18-4/h9-11,15H,5-8H2,1-4H3
InChIKeyQWZVJWOIBVPRES-UHFFFAOYSA-N
XLogP1.23
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'-dimethylethane-1,2-diamine
CID 60686611
N-[2-(3,5-dimethoxyphenoxy)ethyl]butan-1-amine
CID 62597582
N-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 55024417
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-(4-chloro-3-fluorophenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 82727158
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 62582646
N',N'-dimethyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]ethane-1,2-diamine
CID 116793723
N',N'-dimethyl-N-(2-quinolin-7-yloxyethyl)ethane-1,2-diamine
CID 107315215
N-[2-(3-methoxy-5-nitrophenoxy)ethyl]propan-1-amine
CID 80743291
2-(3-methoxyphenoxy)-N,N-dimethylethanamine
CID 10081369
2-(3,5-dimethoxyphenoxy)ethanethiol;ethane
CID 144886217

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethoxyphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[2-(3,5-dimethoxyphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine (CID 62598284) is N-[2-(3,5-dimethoxyphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[2-(3,5-dimethoxyphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[2-(3,5-dimethoxyphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine is COc1cc(OC)cc(OCCNCCN(C)C)c1.
What is the InChIKey of N-[2-(3,5-dimethoxyphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is QWZVJWOIBVPRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-16(2)7-5-15-6-8-19-14-10-12(17-3)9-13(11-14)18-4/h9-11,15H,5-8H2,1-4H3.
What are the key properties of N-[2-(3,5-dimethoxyphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine?
N-[2-(3,5-dimethoxyphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 268.36 g/mol, XLogP of 1.23, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethoxyphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 62598284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).