[2-(N-ethyl-3-methylanilino)-1-phenoxyethyl] formate

C18H21NO3 — CID 88815475

IUPAC[2-(N-ethyl-3-methylanilino)-1-phenoxyethyl] formate
SMILESCCN(CC(OC=O)Oc1ccccc1)c1cccc(C)c1
InChIInChI=1S/C18H21NO3/c1-3-19(16-9-7-8-15(2)12-16)13-18(21-14-20)22-17-10-5-4-6-11-17/h4-12,14,18H,3,13H2,1-2H3
InChIKeyGVIPECASGFQVEI-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.40
Rot. Bonds8

About [2-(N-ethyl-3-methylanilino)-1-phenoxyethyl] formate

[2-(N-ethyl-3-methylanilino)-1-phenoxyethyl] formate (PubChem CID 88815475) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is [2-(N-ethyl-3-methylanilino)-1-phenoxyethyl] formate.

Molecular Properties

Compound Name[2-(N-ethyl-3-methylanilino)-1-phenoxyethyl] formate
PubChem CID88815475
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name[2-(N-ethyl-3-methylanilino)-1-phenoxyethyl] formate
SMILESCCN(CC(OC=O)Oc1ccccc1)c1cccc(C)c1
InChIInChI=1S/C18H21NO3/c1-3-19(16-9-7-8-15(2)12-16)13-18(21-14-20)22-17-10-5-4-6-11-17/h4-12,14,18H,3,13H2,1-2H3
InChIKeyGVIPECASGFQVEI-UHFFFAOYSA-N
XLogP3.40
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-3-methyl-N-(1-phenoxyethyl)aniline
CID 21484944
[1-(N-ethyl-3-methylanilino)-3-phenoxypropan-2-yl] N-phenylcarbamate
CID 102438515
N-(3-bromo-2-phenylpropyl)-N-ethyl-3-methylaniline
CID 65016452
3-(N-ethyl-3-methylanilino)-2-methyl-1-phenylpropan-1-ol
CID 62619514
1-(N-ethyl-3-methylanilino)-3-[4-[3-(N-ethyl-3-methylanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 19133401
1-N-ethyl-1-N-(3-methylphenyl)hexane-1,2-diamine
CID 61077134
1-(N-ethyl-3-methylanilino)propan-2-yl hydrogen sulfite
CID 91035286
N'-ethyl-1-(2-methoxyphenyl)-N'-(3-methylphenyl)ethane-1,2-diamine
CID 61076765
N,N-diethylaniline;N,N,3-trimethylaniline
CID 67788378
2-(N-ethylanilino)ethanol;2-(N-ethyl-3-methylanilino)ethanol
CID 67646691
N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
CID 57172568
2-(N-ethyl-3-methylanilino)-1-(furan-2-yl)ethanol
CID 82216584

Frequently Asked Questions

What is the IUPAC name of [2-(N-ethyl-3-methylanilino)-1-phenoxyethyl] formate?
The IUPAC name of [2-(N-ethyl-3-methylanilino)-1-phenoxyethyl] formate (CID 88815475) is [2-(N-ethyl-3-methylanilino)-1-phenoxyethyl] formate.
What is the SMILES notation for [2-(N-ethyl-3-methylanilino)-1-phenoxyethyl] formate?
The canonical SMILES for [2-(N-ethyl-3-methylanilino)-1-phenoxyethyl] formate is CCN(CC(OC=O)Oc1ccccc1)c1cccc(C)c1.
What is the InChIKey of [2-(N-ethyl-3-methylanilino)-1-phenoxyethyl] formate?
The InChIKey is GVIPECASGFQVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-3-19(16-9-7-8-15(2)12-16)13-18(21-14-20)22-17-10-5-4-6-11-17/h4-12,14,18H,3,13H2,1-2H3.
What are the key properties of [2-(N-ethyl-3-methylanilino)-1-phenoxyethyl] formate?
[2-(N-ethyl-3-methylanilino)-1-phenoxyethyl] formate has a molecular weight of 299.37 g/mol, XLogP of 3.40, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-ethyl-3-methylanilino)-1-phenoxyethyl] formate is sourced from PubChem (CID 88815475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).