2-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]ethanamine

C11H15Cl2NO2 — CID 82352768

IUPAC2-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]ethanamine
SMILESNCCOCCOCc1c(Cl)cccc1Cl
InChIInChI=1S/C11H15Cl2NO2/c12-10-2-1-3-11(13)9(10)8-16-7-6-15-5-4-14/h1-3H,4-8,14H2
InChIKeyIQNXTVMGBGXNGO-UHFFFAOYSA-N
MW264.15 g/mol
LogP2.49
Rot. Bonds7

About 2-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]ethanamine

2-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]ethanamine (PubChem CID 82352768) has the molecular formula C11H15Cl2NO2 and a molecular weight of 264.15 g/mol. Its IUPAC name is 2-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]ethanamine
PubChem CID82352768
Molecular FormulaC11H15Cl2NO2
Molecular Weight264.15 g/mol
Exact Mass263.05
IUPAC Name2-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]ethanamine
SMILESNCCOCCOCc1c(Cl)cccc1Cl
InChIInChI=1S/C11H15Cl2NO2/c12-10-2-1-3-11(13)9(10)8-16-7-6-15-5-4-14/h1-3H,4-8,14H2
InChIKeyIQNXTVMGBGXNGO-UHFFFAOYSA-N
XLogP2.49
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 52.49
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-[(2,6-dichlorophenyl)methoxy]ethoxy]methanamine
CID 170043449
1,3-dichloro-2-(2-heptoxyethoxymethyl)benzene
CID 118329197
3-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]aniline
CID 104560092
1,3-dichloro-2-[2-(3,3,4-trimethylpentoxy)ethoxymethyl]benzene
CID 90905849
2-[2-[(3,4-dichlorophenyl)methoxy]ethoxy]ethanamine
CID 82352780
(2R)-1-[(2,6-dichlorophenyl)methoxy]propan-2-amine
CID 97057932
6-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]-2-methylhexanal
CID 141399860
2-[2-[[3-[dichloro(diphenyl)-λ5-phosphanyl]phenyl]methoxy]ethoxy]ethanamine
CID 167111028
3-chloro-2-(2-thiophen-2-ylethoxymethyl)aniline
CID 63745442
2-[3-[(2,6-dichlorophenyl)methoxy]cyclohexa-1,3-dien-1-yl]oxyethanamine
CID 130373179
2-[2-(3-chlorophenyl)ethoxy]ethanamine
CID 94766900
1,3-dichloro-2-(prop-1-en-2-yloxymethyl)benzene
CID 142086955

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]ethanamine?
The IUPAC name of 2-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]ethanamine (CID 82352768) is 2-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]ethanamine.
What is the SMILES notation for 2-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]ethanamine?
The canonical SMILES for 2-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]ethanamine is NCCOCCOCc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]ethanamine?
The InChIKey is IQNXTVMGBGXNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO2/c12-10-2-1-3-11(13)9(10)8-16-7-6-15-5-4-14/h1-3H,4-8,14H2.
What are the key properties of 2-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]ethanamine?
2-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]ethanamine has a molecular weight of 264.15 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]ethanamine is sourced from PubChem (CID 82352768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).