2-[2-(aminomethyl)phenoxy]-N-(2-ethoxyethyl)-N-ethylacetamide

C15H24N2O3 — CID 63697693

IUPAC2-[2-(aminomethyl)phenoxy]-N-(2-ethoxyethyl)-N-ethylacetamide
SMILESCCOCCN(CC)C(=O)COc1ccccc1CN
InChIInChI=1S/C15H24N2O3/c1-3-17(9-10-19-4-2)15(18)12-20-14-8-6-5-7-13(14)11-16/h5-8H,3-4,9-12,16H2,1-2H3
InChIKeyBDLHBAZTRKTCNF-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.41
Rot. Bonds9

About 2-[2-(aminomethyl)phenoxy]-N-(2-ethoxyethyl)-N-ethylacetamide

2-[2-(aminomethyl)phenoxy]-N-(2-ethoxyethyl)-N-ethylacetamide (PubChem CID 63697693) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenoxy]-N-(2-ethoxyethyl)-N-ethylacetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenoxy]-N-(2-ethoxyethyl)-N-ethylacetamide
PubChem CID63697693
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-[2-(aminomethyl)phenoxy]-N-(2-ethoxyethyl)-N-ethylacetamide
SMILESCCOCCN(CC)C(=O)COc1ccccc1CN
InChIInChI=1S/C15H24N2O3/c1-3-17(9-10-19-4-2)15(18)12-20-14-8-6-5-7-13(14)11-16/h5-8H,3-4,9-12,16H2,1-2H3
InChIKeyBDLHBAZTRKTCNF-UHFFFAOYSA-N
XLogP1.41
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.41
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

2-[2-(aminomethyl)phenoxy]-N,N-diethylacetamide
CID 16771866
N-[2-[2-(aminomethyl)phenoxy]ethyl]-2-ethoxy-N-ethylethanamine
CID 63696644
2-(4-aminophenoxy)-N-(2-ethoxyethyl)-N-ethylacetamide
CID 63696448
2-(2-ethoxyphenoxy)-N,N-diethylacetamide
CID 60625239
2-[2-(aminomethyl)phenoxy]-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide
CID 103187433
2-[2-(aminomethyl)-4-chlorophenoxy]-N,N-diethylacetamide
CID 43141794
2-[2-(aminomethyl)phenoxy]acetic acid
CID 15103326
2-[2-(aminomethyl)phenoxy]-N,N-diethylethanamine
CID 16787209
N,N-diethyl-2-[2-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 43277363
N-(2-ethoxyethyl)-N-ethylbenzamide
CID 63718241
N,N-diethyl-2-(2-fluorophenoxy)acetamide
CID 2178411
2-(2-ethylphenoxy)-N-methylacetohydrazide
CID 116820495

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenoxy]-N-(2-ethoxyethyl)-N-ethylacetamide?
The IUPAC name of 2-[2-(aminomethyl)phenoxy]-N-(2-ethoxyethyl)-N-ethylacetamide (CID 63697693) is 2-[2-(aminomethyl)phenoxy]-N-(2-ethoxyethyl)-N-ethylacetamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenoxy]-N-(2-ethoxyethyl)-N-ethylacetamide?
The canonical SMILES for 2-[2-(aminomethyl)phenoxy]-N-(2-ethoxyethyl)-N-ethylacetamide is CCOCCN(CC)C(=O)COc1ccccc1CN.
What is the InChIKey of 2-[2-(aminomethyl)phenoxy]-N-(2-ethoxyethyl)-N-ethylacetamide?
The InChIKey is BDLHBAZTRKTCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-3-17(9-10-19-4-2)15(18)12-20-14-8-6-5-7-13(14)11-16/h5-8H,3-4,9-12,16H2,1-2H3.
What are the key properties of 2-[2-(aminomethyl)phenoxy]-N-(2-ethoxyethyl)-N-ethylacetamide?
2-[2-(aminomethyl)phenoxy]-N-(2-ethoxyethyl)-N-ethylacetamide has a molecular weight of 280.37 g/mol, XLogP of 1.41, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenoxy]-N-(2-ethoxyethyl)-N-ethylacetamide is sourced from PubChem (CID 63697693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).