1-[(2,4-dichlorophenyl)methoxy]-N,N-diethylethanamine

C13H19Cl2NO — CID 70293179

IUPAC1-[(2,4-dichlorophenyl)methoxy]-N,N-diethylethanamine
SMILESCCN(CC)C(C)OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2NO/c1-4-16(5-2)10(3)17-9-11-6-7-12(14)8-13(11)15/h6-8,10H,4-5,9H2,1-3H3
InChIKeyOGACBEOTAPAYFN-UHFFFAOYSA-N
MW276.21 g/mol
LogP4.20
Rot. Bonds6

About 1-[(2,4-dichlorophenyl)methoxy]-N,N-diethylethanamine

1-[(2,4-dichlorophenyl)methoxy]-N,N-diethylethanamine (PubChem CID 70293179) has the molecular formula C13H19Cl2NO and a molecular weight of 276.21 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methoxy]-N,N-diethylethanamine.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methoxy]-N,N-diethylethanamine
PubChem CID70293179
Molecular FormulaC13H19Cl2NO
Molecular Weight276.21 g/mol
Exact Mass275.08
IUPAC Name1-[(2,4-dichlorophenyl)methoxy]-N,N-diethylethanamine
SMILESCCN(CC)C(C)OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2NO/c1-4-16(5-2)10(3)17-9-11-6-7-12(14)8-13(11)15/h6-8,10H,4-5,9H2,1-3H3
InChIKeyOGACBEOTAPAYFN-UHFFFAOYSA-N
XLogP4.20
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-1-(2-methylbutoxymethyl)benzene
CID 91723382
2,4-dichloro-1-(propoxymethyl)benzene
CID 527851
1-[(2,4-dichlorophenyl)methoxy]propan-2-amine
CID 82475739
N,N-diethyl-1-phenylmethoxyethanamine
CID 22369442
3-(2,4-dichlorophenyl)-1,1-diethoxypropan-2-ol
CID 79496239
(2R)-2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethanamine
CID 156596799
2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethanol
CID 70556653
2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethanamine;hydrochloride
CID 175674542
(1S)-1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanol
CID 78944605
3-(2,4-dichlorophenyl)-2-methylpropanal
CID 91884147
1-(diethylamino)ethyl 2-[2-(2,4-dichlorophenoxy)phenyl]acetate
CID 67460438
ethyl 2-[[2-(2,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetate
CID 19778949

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methoxy]-N,N-diethylethanamine?
The IUPAC name of 1-[(2,4-dichlorophenyl)methoxy]-N,N-diethylethanamine (CID 70293179) is 1-[(2,4-dichlorophenyl)methoxy]-N,N-diethylethanamine.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methoxy]-N,N-diethylethanamine?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methoxy]-N,N-diethylethanamine is CCN(CC)C(C)OCc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methoxy]-N,N-diethylethanamine?
The InChIKey is OGACBEOTAPAYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO/c1-4-16(5-2)10(3)17-9-11-6-7-12(14)8-13(11)15/h6-8,10H,4-5,9H2,1-3H3.
What are the key properties of 1-[(2,4-dichlorophenyl)methoxy]-N,N-diethylethanamine?
1-[(2,4-dichlorophenyl)methoxy]-N,N-diethylethanamine has a molecular weight of 276.21 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methoxy]-N,N-diethylethanamine is sourced from PubChem (CID 70293179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).