2-[2-[3-(aminomethyl)phenoxy]ethoxy]benzamide

C16H18N2O3 — CID 43254266

IUPAC2-[2-[3-(aminomethyl)phenoxy]ethoxy]benzamide
SMILESNCc1cccc(OCCOc2ccccc2C(N)=O)c1
InChIInChI=1S/C16H18N2O3/c17-11-12-4-3-5-13(10-12)20-8-9-21-15-7-2-1-6-14(15)16(18)19/h1-7,10H,8-9,11,17H2,(H2,18,19)
InChIKeyGKKSAKPZCBZMCZ-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.70
Rot. Bonds7

About 2-[2-[3-(aminomethyl)phenoxy]ethoxy]benzamide

2-[2-[3-(aminomethyl)phenoxy]ethoxy]benzamide (PubChem CID 43254266) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[2-[3-(aminomethyl)phenoxy]ethoxy]benzamide.

Molecular Properties

Compound Name2-[2-[3-(aminomethyl)phenoxy]ethoxy]benzamide
PubChem CID43254266
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-[2-[3-(aminomethyl)phenoxy]ethoxy]benzamide
SMILESNCc1cccc(OCCOc2ccccc2C(N)=O)c1
InChIInChI=1S/C16H18N2O3/c17-11-12-4-3-5-13(10-12)20-8-9-21-15-7-2-1-6-14(15)16(18)19/h1-7,10H,8-9,11,17H2,(H2,18,19)
InChIKeyGKKSAKPZCBZMCZ-UHFFFAOYSA-N
XLogP1.70
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-(3-aminophenoxy)propoxy]benzamide
CID 43174426
2-[(3-phenylmethoxyphenyl)methoxy]benzamide
CID 60603891
2-[2-[3-(aminomethyl)phenoxy]ethyl-(2-amino-2-oxoethyl)amino]acetamide
CID 62922417
[3-[2-(2-phenoxyethoxy)ethoxy]phenyl]methanamine
CID 43254185
2-[3-(aminomethyl)phenoxy]ethanol
CID 21465373
2-(3-amino-3-oxopropoxy)benzamide
CID 60713061
3-[2-[2-[2-[2-[2-[3-(aminomethyl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;hydrochloride
CID 164593214
methyl 4-[2-(2-carbamoylphenoxy)ethoxy]benzoate
CID 47056930
3-[3-(aminomethyl)phenoxy]-N-methylpropanamide
CID 62324722
2-[2-(3-methoxyphenoxy)ethoxy]benzoic acid
CID 20990666
4-methoxy-2-(2-phenoxyethoxy)benzamide
CID 18085843
3-[3-(aminomethyl)phenoxy]-N-phenylpropanamide
CID 106485112

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(aminomethyl)phenoxy]ethoxy]benzamide?
The IUPAC name of 2-[2-[3-(aminomethyl)phenoxy]ethoxy]benzamide (CID 43254266) is 2-[2-[3-(aminomethyl)phenoxy]ethoxy]benzamide.
What is the SMILES notation for 2-[2-[3-(aminomethyl)phenoxy]ethoxy]benzamide?
The canonical SMILES for 2-[2-[3-(aminomethyl)phenoxy]ethoxy]benzamide is NCc1cccc(OCCOc2ccccc2C(N)=O)c1.
What is the InChIKey of 2-[2-[3-(aminomethyl)phenoxy]ethoxy]benzamide?
The InChIKey is GKKSAKPZCBZMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c17-11-12-4-3-5-13(10-12)20-8-9-21-15-7-2-1-6-14(15)16(18)19/h1-7,10H,8-9,11,17H2,(H2,18,19).
What are the key properties of 2-[2-[3-(aminomethyl)phenoxy]ethoxy]benzamide?
2-[2-[3-(aminomethyl)phenoxy]ethoxy]benzamide has a molecular weight of 286.33 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(aminomethyl)phenoxy]ethoxy]benzamide is sourced from PubChem (CID 43254266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).