N-[2-(2-ethoxyethoxy)ethyl]aniline

C12H19NO2 — CID 23009140

IUPACN-[2-(2-ethoxyethoxy)ethyl]aniline
SMILESCCOCCOCCNc1ccccc1
InChIInChI=1S/C12H19NO2/c1-2-14-10-11-15-9-8-13-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3
InChIKeyBKNUVCRJBXMTTP-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.15
Rot. Bonds8

About N-[2-(2-ethoxyethoxy)ethyl]aniline

N-[2-(2-ethoxyethoxy)ethyl]aniline (PubChem CID 23009140) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is N-[2-(2-ethoxyethoxy)ethyl]aniline.

Molecular Properties

Compound NameN-[2-(2-ethoxyethoxy)ethyl]aniline
PubChem CID23009140
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC NameN-[2-(2-ethoxyethoxy)ethyl]aniline
SMILESCCOCCOCCNc1ccccc1
InChIInChI=1S/C12H19NO2/c1-2-14-10-11-15-9-8-13-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3
InChIKeyBKNUVCRJBXMTTP-UHFFFAOYSA-N
XLogP2.15
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-butoxyethoxy)ethyl]aniline
CID 55093379
N-[2-(2-ethoxyethoxy)ethyl]-4-methylaniline
CID 23009145
N-(12-ethoxydodecyl)aniline
CID 54545171
N-[2-(2-ethoxyethoxy)ethyl]-3-methylaniline
CID 23009144
2-(2-anilinoethoxy)ethyl acetate
CID 102065081
2-[2-(2-anilinoethoxy)ethoxy]acetic acid
CID 101429259
2-(2-anilinoethoxy)ethyl formate
CID 102065077
2-(2-anilinoethoxy)ethyl butanoate
CID 102065089
3-(2-ethoxyethylamino)benzoic acid
CID 102822375
N-[2-(2,2-difluoroethoxy)ethyl]aniline
CID 82010381
N-(12-dodecoxydodecyl)aniline
CID 54486065
N-propylaniline
CID 12153

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethoxyethoxy)ethyl]aniline?
The IUPAC name of N-[2-(2-ethoxyethoxy)ethyl]aniline (CID 23009140) is N-[2-(2-ethoxyethoxy)ethyl]aniline.
What is the SMILES notation for N-[2-(2-ethoxyethoxy)ethyl]aniline?
The canonical SMILES for N-[2-(2-ethoxyethoxy)ethyl]aniline is CCOCCOCCNc1ccccc1.
What is the InChIKey of N-[2-(2-ethoxyethoxy)ethyl]aniline?
The InChIKey is BKNUVCRJBXMTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-2-14-10-11-15-9-8-13-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3.
What are the key properties of N-[2-(2-ethoxyethoxy)ethyl]aniline?
N-[2-(2-ethoxyethoxy)ethyl]aniline has a molecular weight of 209.29 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethoxyethoxy)ethyl]aniline is sourced from PubChem (CID 23009140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).