2-amino-6-[2-(2-ethoxyethoxy)ethoxy]benzonitrile

C13H18N2O3 — CID 67399827

IUPAC2-amino-6-[2-(2-ethoxyethoxy)ethoxy]benzonitrile
SMILESCCOCCOCCOc1cccc(N)c1C#N
InChIInChI=1S/C13H18N2O3/c1-2-16-6-7-17-8-9-18-13-5-3-4-12(15)11(13)10-14/h3-5H,2,6-9,15H2,1H3
InChIKeyTVOMZWXMWRJLRP-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.57
Rot. Bonds8

About 2-amino-6-[2-(2-ethoxyethoxy)ethoxy]benzonitrile

2-amino-6-[2-(2-ethoxyethoxy)ethoxy]benzonitrile (PubChem CID 67399827) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-amino-6-[2-(2-ethoxyethoxy)ethoxy]benzonitrile.

Molecular Properties

Compound Name2-amino-6-[2-(2-ethoxyethoxy)ethoxy]benzonitrile
PubChem CID67399827
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-amino-6-[2-(2-ethoxyethoxy)ethoxy]benzonitrile
SMILESCCOCCOCCOc1cccc(N)c1C#N
InChIInChI=1S/C13H18N2O3/c1-2-16-6-7-17-8-9-18-13-5-3-4-12(15)11(13)10-14/h3-5H,2,6-9,15H2,1H3
InChIKeyTVOMZWXMWRJLRP-UHFFFAOYSA-N
XLogP1.57
TPSA77.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-[(2R)-2-aminobutoxy]benzonitrile
CID 69055287
2-chloro-6-(3-ethoxypropoxy)benzonitrile
CID 79032993
2-amino-6-[(2R)-2-aminopropoxy]benzonitrile
CID 66746385
2-amino-6-chloro-3-(2-ethoxyethoxy)benzonitrile
CID 82012914
2,6-diethoxybenzonitrile
CID 3018118
4,5-bis(2-ethoxyethoxy)benzene-1,2-dicarbonitrile
CID 10828338
2-amino-6-[4-[5-butylnonan-5-yl(methyl)silyl]oxybutoxy]benzonitrile
CID 150024965
2-amino-6-(2-ethoxyethoxy)benzoic acid
CID 107341443
2-[(3-amino-2-cyanophenoxy)methyl]prop-2-enyl acetate
CID 67400011
8-(2-ethoxyethoxy)quinoline-2-carbonitrile
CID 70500628
3-(2-ethoxyethoxy)-2-nitroaniline
CID 80858319
3-amino-6-(2-ethoxyethoxy)pyridine-2-carbonitrile
CID 103469516

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[2-(2-ethoxyethoxy)ethoxy]benzonitrile?
The IUPAC name of 2-amino-6-[2-(2-ethoxyethoxy)ethoxy]benzonitrile (CID 67399827) is 2-amino-6-[2-(2-ethoxyethoxy)ethoxy]benzonitrile.
What is the SMILES notation for 2-amino-6-[2-(2-ethoxyethoxy)ethoxy]benzonitrile?
The canonical SMILES for 2-amino-6-[2-(2-ethoxyethoxy)ethoxy]benzonitrile is CCOCCOCCOc1cccc(N)c1C#N.
What is the InChIKey of 2-amino-6-[2-(2-ethoxyethoxy)ethoxy]benzonitrile?
The InChIKey is TVOMZWXMWRJLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-2-16-6-7-17-8-9-18-13-5-3-4-12(15)11(13)10-14/h3-5H,2,6-9,15H2,1H3.
What are the key properties of 2-amino-6-[2-(2-ethoxyethoxy)ethoxy]benzonitrile?
2-amino-6-[2-(2-ethoxyethoxy)ethoxy]benzonitrile has a molecular weight of 250.30 g/mol, XLogP of 1.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[2-(2-ethoxyethoxy)ethoxy]benzonitrile is sourced from PubChem (CID 67399827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).