2-[3-(aminomethyl)phenoxy]-N,N-dimethylethanamine

C11H18N2O — CID 16771284

IUPAC2-[3-(aminomethyl)phenoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1cccc(CN)c1
InChIInChI=1S/C11H18N2O/c1-13(2)6-7-14-11-5-3-4-10(8-11)9-12/h3-5,8H,6-7,9,12H2,1-2H3
InChIKeyCJJHPYWTHROFEE-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.09
Rot. Bonds5

About 2-[3-(aminomethyl)phenoxy]-N,N-dimethylethanamine

2-[3-(aminomethyl)phenoxy]-N,N-dimethylethanamine (PubChem CID 16771284) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-[3-(aminomethyl)phenoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[3-(aminomethyl)phenoxy]-N,N-dimethylethanamine
PubChem CID16771284
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-[3-(aminomethyl)phenoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1cccc(CN)c1
InChIInChI=1S/C11H18N2O/c1-13(2)6-7-14-11-5-3-4-10(8-11)9-12/h3-5,8H,6-7,9,12H2,1-2H3
InChIKeyCJJHPYWTHROFEE-UHFFFAOYSA-N
XLogP1.09
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)phenoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[3-(aminomethyl)phenoxy]-N,N-dimethylethanamine (CID 16771284) is 2-[3-(aminomethyl)phenoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[3-(aminomethyl)phenoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[3-(aminomethyl)phenoxy]-N,N-dimethylethanamine is CN(C)CCOc1cccc(CN)c1.
What is the InChIKey of 2-[3-(aminomethyl)phenoxy]-N,N-dimethylethanamine?
The InChIKey is CJJHPYWTHROFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-13(2)6-7-14-11-5-3-4-10(8-11)9-12/h3-5,8H,6-7,9,12H2,1-2H3.
What are the key properties of 2-[3-(aminomethyl)phenoxy]-N,N-dimethylethanamine?
2-[3-(aminomethyl)phenoxy]-N,N-dimethylethanamine has a molecular weight of 194.28 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)phenoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 16771284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).