2-[2-ethoxy-4-(ethylaminomethyl)-N-methylanilino]acetic acid

C14H22N2O3 — CID 84749434

IUPAC2-[2-ethoxy-4-(ethylaminomethyl)-N-methylanilino]acetic acid
SMILESCCNCc1ccc(N(C)CC(=O)O)c(OCC)c1
InChIInChI=1S/C14H22N2O3/c1-4-15-9-11-6-7-12(13(8-11)19-5-2)16(3)10-14(17)18/h6-8,15H,4-5,9-10H2,1-3H3,(H,17,18)
InChIKeyZBIJKSXRDZMFAA-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.72
Rot. Bonds8

About 2-[2-ethoxy-4-(ethylaminomethyl)-N-methylanilino]acetic acid

2-[2-ethoxy-4-(ethylaminomethyl)-N-methylanilino]acetic acid (PubChem CID 84749434) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[2-ethoxy-4-(ethylaminomethyl)-N-methylanilino]acetic acid.

Molecular Properties

Compound Name2-[2-ethoxy-4-(ethylaminomethyl)-N-methylanilino]acetic acid
PubChem CID84749434
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-[2-ethoxy-4-(ethylaminomethyl)-N-methylanilino]acetic acid
SMILESCCNCc1ccc(N(C)CC(=O)O)c(OCC)c1
InChIInChI=1S/C14H22N2O3/c1-4-15-9-11-6-7-12(13(8-11)19-5-2)16(3)10-14(17)18/h6-8,15H,4-5,9-10H2,1-3H3,(H,17,18)
InChIKeyZBIJKSXRDZMFAA-UHFFFAOYSA-N
XLogP1.72
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

3-[2-ethoxy-4-(ethylaminomethyl)-N-methylanilino]propanoic acid
CID 84749809
3-[2-ethoxy-4-(ethylaminomethyl)-N-propylanilino]propanoic acid
CID 84749909
3-[2-ethoxy-N-methyl-4-[(propan-2-ylamino)methyl]anilino]propanoic acid
CID 84749807
N-[[4-(dimethylamino)-3-ethoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 84749573
N-butyl-2-ethoxy-N-methyl-4-(propylaminomethyl)aniline
CID 84749591
2-[[4-[butyl(ethyl)amino]-3-ethoxyphenyl]methylamino]acetic acid
CID 84748733
N,N-diethyl-2-[4-(ethylaminomethyl)-N,2-dimethylanilino]acetamide
CID 62124186
2-[[3-[carboxymethyl(methyl)amino]-4-fluorophenyl]methylamino]acetic acid
CID 84753712
N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 4717500
3-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-N,N-dimethylpropan-1-amine
CID 92921079
2-ethoxy-4-[(3-ethoxypropylamino)methyl]-N,N-dimethylaniline
CID 84749569
N-[2-[[4-(diethylamino)-3-ethoxyphenyl]methylamino]ethyl]acetamide
CID 84749361

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-(ethylaminomethyl)-N-methylanilino]acetic acid?
The IUPAC name of 2-[2-ethoxy-4-(ethylaminomethyl)-N-methylanilino]acetic acid (CID 84749434) is 2-[2-ethoxy-4-(ethylaminomethyl)-N-methylanilino]acetic acid.
What is the SMILES notation for 2-[2-ethoxy-4-(ethylaminomethyl)-N-methylanilino]acetic acid?
The canonical SMILES for 2-[2-ethoxy-4-(ethylaminomethyl)-N-methylanilino]acetic acid is CCNCc1ccc(N(C)CC(=O)O)c(OCC)c1.
What is the InChIKey of 2-[2-ethoxy-4-(ethylaminomethyl)-N-methylanilino]acetic acid?
The InChIKey is ZBIJKSXRDZMFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-4-15-9-11-6-7-12(13(8-11)19-5-2)16(3)10-14(17)18/h6-8,15H,4-5,9-10H2,1-3H3,(H,17,18).
What are the key properties of 2-[2-ethoxy-4-(ethylaminomethyl)-N-methylanilino]acetic acid?
2-[2-ethoxy-4-(ethylaminomethyl)-N-methylanilino]acetic acid has a molecular weight of 266.34 g/mol, XLogP of 1.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-(ethylaminomethyl)-N-methylanilino]acetic acid is sourced from PubChem (CID 84749434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).