2-(2-anilinoethoxy)ethyl formate

C11H15NO3 — CID 102065077

IUPAC2-(2-anilinoethoxy)ethyl formate
SMILESO=COCCOCCNc1ccccc1
InChIInChI=1S/C11H15NO3/c13-10-15-9-8-14-7-6-12-11-4-2-1-3-5-11/h1-5,10,12H,6-9H2
InChIKeyCOJDUAQUNGMWTF-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.29
Rot. Bonds8

About 2-(2-anilinoethoxy)ethyl formate

2-(2-anilinoethoxy)ethyl formate (PubChem CID 102065077) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-(2-anilinoethoxy)ethyl formate.

Molecular Properties

Compound Name2-(2-anilinoethoxy)ethyl formate
PubChem CID102065077
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name2-(2-anilinoethoxy)ethyl formate
SMILESO=COCCOCCNc1ccccc1
InChIInChI=1S/C11H15NO3/c13-10-15-9-8-14-7-6-12-11-4-2-1-3-5-11/h1-5,10,12H,6-9H2
InChIKeyCOJDUAQUNGMWTF-UHFFFAOYSA-N
XLogP1.29
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-ethoxyethoxy)ethyl]aniline
CID 23009140
2-[2-(2-anilinoethoxy)ethoxy]acetic acid
CID 101429259
N-[2-(2-butoxyethoxy)ethyl]aniline
CID 55093379
2-(2-anilinoethoxy)ethyl acetate
CID 102065081
2-(2-phenoxyethoxy)ethyl formate
CID 88533287
N-[2-(2,2-difluoroethoxy)ethyl]aniline
CID 82010381
2-(2-anilinoethoxy)ethyl butanoate
CID 102065089
2-(3-oxo-3-phenylpropoxy)ethyl formate
CID 134922403
methoxyethane;4-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]benzaldehyde
CID 169146674
bis(2-anilinoethyl) (E)-but-2-enedioate;hydrochloride
CID 90411271
N-[2-[(4-ethenylphenyl)methoxy]ethyl]aniline
CID 58421196
N-[2-(cyclopentylmethoxy)ethyl]aniline
CID 66323368

Frequently Asked Questions

What is the IUPAC name of 2-(2-anilinoethoxy)ethyl formate?
The IUPAC name of 2-(2-anilinoethoxy)ethyl formate (CID 102065077) is 2-(2-anilinoethoxy)ethyl formate.
What is the SMILES notation for 2-(2-anilinoethoxy)ethyl formate?
The canonical SMILES for 2-(2-anilinoethoxy)ethyl formate is O=COCCOCCNc1ccccc1.
What is the InChIKey of 2-(2-anilinoethoxy)ethyl formate?
The InChIKey is COJDUAQUNGMWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c13-10-15-9-8-14-7-6-12-11-4-2-1-3-5-11/h1-5,10,12H,6-9H2.
What are the key properties of 2-(2-anilinoethoxy)ethyl formate?
2-(2-anilinoethoxy)ethyl formate has a molecular weight of 209.25 g/mol, XLogP of 1.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-anilinoethoxy)ethyl formate is sourced from PubChem (CID 102065077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).