2-[dichloro(phenyl)methoxy]-N,N-diethylethanamine

C13H19Cl2NO — CID 67633336

IUPAC2-[dichloro(phenyl)methoxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOC(Cl)(Cl)c1ccccc1
InChIInChI=1S/C13H19Cl2NO/c1-3-16(4-2)10-11-17-13(14,15)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChIKeyUQTITFNUUSIFAM-UHFFFAOYSA-N
MW276.21 g/mol
LogP3.63
Rot. Bonds7

About 2-[dichloro(phenyl)methoxy]-N,N-diethylethanamine

2-[dichloro(phenyl)methoxy]-N,N-diethylethanamine (PubChem CID 67633336) has the molecular formula C13H19Cl2NO and a molecular weight of 276.21 g/mol. Its IUPAC name is 2-[dichloro(phenyl)methoxy]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[dichloro(phenyl)methoxy]-N,N-diethylethanamine
PubChem CID67633336
Molecular FormulaC13H19Cl2NO
Molecular Weight276.21 g/mol
Exact Mass275.08
IUPAC Name2-[dichloro(phenyl)methoxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOC(Cl)(Cl)c1ccccc1
InChIInChI=1S/C13H19Cl2NO/c1-3-16(4-2)10-11-17-13(14,15)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChIKeyUQTITFNUUSIFAM-UHFFFAOYSA-N
XLogP3.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclohexane;(2S)-1-[2-(diethylamino)ethoxy]-2-phenylpropan-2-ol
CID 143910685
2-(3-tert-butylphenoxy)-N,N-diethylethanamine
CID 20619676
2-[chloro(phenyl)methoxy]-N,N-diethylethanamine
CID 70132792
2-chlorobutan-2-ylbenzene;ethane
CID 123404536
N,N-diethyl-2-[3-(trifluoromethyl)phenoxy]ethanamine
CID 2993848
2-[4-[2-(diethylamino)ethoxy]phenyl]-1-(4-methoxyphenyl)-1-phenylethanol
CID 21128725
N,N-diethyl-2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride
CID 2993847
N-[2-(diethylamino)ethoxy]pyridin-2-amine
CID 54382786
2-(diethylamino)ethyl 4-methyl-2,2-diphenylpentanoate
CID 10406675
2-(diethylamino)ethyl 2-hydroxy-4-methyl-2-phenylpentanoate;hydrochloride
CID 20833921
2-[4-(2,2-dichloro-1,3-dimethyl-3-phenylcyclopropyl)phenoxy]-N,N-diethylethanamine
CID 54113039
2-[4-[3-(4-chlorophenyl)-5-phenylphenyl]phenoxy]-N,N-diethylethanamine
CID 160547333

Frequently Asked Questions

What is the IUPAC name of 2-[dichloro(phenyl)methoxy]-N,N-diethylethanamine?
The IUPAC name of 2-[dichloro(phenyl)methoxy]-N,N-diethylethanamine (CID 67633336) is 2-[dichloro(phenyl)methoxy]-N,N-diethylethanamine.
What is the SMILES notation for 2-[dichloro(phenyl)methoxy]-N,N-diethylethanamine?
The canonical SMILES for 2-[dichloro(phenyl)methoxy]-N,N-diethylethanamine is CCN(CC)CCOC(Cl)(Cl)c1ccccc1.
What is the InChIKey of 2-[dichloro(phenyl)methoxy]-N,N-diethylethanamine?
The InChIKey is UQTITFNUUSIFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO/c1-3-16(4-2)10-11-17-13(14,15)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3.
What are the key properties of 2-[dichloro(phenyl)methoxy]-N,N-diethylethanamine?
2-[dichloro(phenyl)methoxy]-N,N-diethylethanamine has a molecular weight of 276.21 g/mol, XLogP of 3.63, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dichloro(phenyl)methoxy]-N,N-diethylethanamine is sourced from PubChem (CID 67633336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).