2-[2-[4-(aminomethyl)phenoxy]ethoxy]-N,N-dimethylethanamine

C13H22N2O2 — CID 62460192

IUPAC2-[2-[4-(aminomethyl)phenoxy]ethoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOCCOc1ccc(CN)cc1
InChIInChI=1S/C13H22N2O2/c1-15(2)7-8-16-9-10-17-13-5-3-12(11-14)4-6-13/h3-6H,7-11,14H2,1-2H3
InChIKeyCKYJSZJBTYWISQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.10
Rot. Bonds8

About 2-[2-[4-(aminomethyl)phenoxy]ethoxy]-N,N-dimethylethanamine

2-[2-[4-(aminomethyl)phenoxy]ethoxy]-N,N-dimethylethanamine (PubChem CID 62460192) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[2-[4-(aminomethyl)phenoxy]ethoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2-[4-(aminomethyl)phenoxy]ethoxy]-N,N-dimethylethanamine
PubChem CID62460192
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-[2-[4-(aminomethyl)phenoxy]ethoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOCCOc1ccc(CN)cc1
InChIInChI=1S/C13H22N2O2/c1-15(2)7-8-16-9-10-17-13-5-3-12(11-14)4-6-13/h3-6H,7-11,14H2,1-2H3
InChIKeyCKYJSZJBTYWISQ-UHFFFAOYSA-N
XLogP1.10
TPSA47.72 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 ≤ 51.10
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

[4-[2-[2-[2-[4-(aminomethyl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanamine
CID 46222769
[4-[2-(2-butoxyethoxy)ethoxy]phenyl]methanamine
CID 43254346
N'-[3-[4-(aminomethyl)phenoxy]propyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63694110
[4-[2-(3-methylbutoxy)ethoxy]phenyl]methanamine
CID 43254164
[4-(2-hexoxyethoxy)phenyl]methanamine
CID 43254396
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylcyclopropanamine
CID 43264634
[4-(3-pentoxypropoxy)phenyl]methanamine
CID 43275017
[4-[3-(2-propan-2-yloxyethoxy)propoxy]phenyl]methanamine
CID 43254235
4-[4-(aminomethyl)phenoxy]-N,N-diethylbutan-1-amine
CID 21465327
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylcyclopentanamine
CID 43266852
2-(4-tert-butylphenoxy)-N,N-dimethylethanamine
CID 5261951
2-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]-N,N-dimethylethanamine
CID 171715461

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(aminomethyl)phenoxy]ethoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[2-[4-(aminomethyl)phenoxy]ethoxy]-N,N-dimethylethanamine (CID 62460192) is 2-[2-[4-(aminomethyl)phenoxy]ethoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2-[4-(aminomethyl)phenoxy]ethoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[2-[4-(aminomethyl)phenoxy]ethoxy]-N,N-dimethylethanamine is CN(C)CCOCCOc1ccc(CN)cc1.
What is the InChIKey of 2-[2-[4-(aminomethyl)phenoxy]ethoxy]-N,N-dimethylethanamine?
The InChIKey is CKYJSZJBTYWISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-15(2)7-8-16-9-10-17-13-5-3-12(11-14)4-6-13/h3-6H,7-11,14H2,1-2H3.
What are the key properties of 2-[2-[4-(aminomethyl)phenoxy]ethoxy]-N,N-dimethylethanamine?
2-[2-[4-(aminomethyl)phenoxy]ethoxy]-N,N-dimethylethanamine has a molecular weight of 238.33 g/mol, XLogP of 1.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(aminomethyl)phenoxy]ethoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 62460192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).