2-butoxy-N-[2-(2,4-dichlorophenoxy)ethyl]ethanamine

C14H21Cl2NO2 — CID 62571535

IUPAC2-butoxy-N-[2-(2,4-dichlorophenoxy)ethyl]ethanamine
SMILESCCCCOCCNCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H21Cl2NO2/c1-2-3-8-18-9-6-17-7-10-19-14-5-4-12(15)11-13(14)16/h4-5,11,17H,2-3,6-10H2,1H3
InChIKeySTRJXSBNXGFNHL-UHFFFAOYSA-N
MW306.23 g/mol
LogP3.78
Rot. Bonds10

About 2-butoxy-N-[2-(2,4-dichlorophenoxy)ethyl]ethanamine

2-butoxy-N-[2-(2,4-dichlorophenoxy)ethyl]ethanamine (PubChem CID 62571535) has the molecular formula C14H21Cl2NO2 and a molecular weight of 306.23 g/mol. Its IUPAC name is 2-butoxy-N-[2-(2,4-dichlorophenoxy)ethyl]ethanamine.

Molecular Properties

Compound Name2-butoxy-N-[2-(2,4-dichlorophenoxy)ethyl]ethanamine
PubChem CID62571535
Molecular FormulaC14H21Cl2NO2
Molecular Weight306.23 g/mol
Exact Mass305.09
IUPAC Name2-butoxy-N-[2-(2,4-dichlorophenoxy)ethyl]ethanamine
SMILESCCCCOCCNCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H21Cl2NO2/c1-2-3-8-18-9-6-17-7-10-19-14-5-4-12(15)11-13(14)16/h4-5,11,17H,2-3,6-10H2,1H3
InChIKeySTRJXSBNXGFNHL-UHFFFAOYSA-N
XLogP3.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 53.78
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

2-butoxy-N-[2-(2,4-difluorophenoxy)ethyl]ethanamine
CID 55088257
2-butoxy-N-[2-(2,5-dichlorophenyl)sulfanylethyl]ethanamine
CID 63517902
N-[2-(2-bromo-4-fluorophenoxy)ethyl]-2-butoxyethanamine
CID 62572554
N-[2-(2,4-dichlorophenoxy)ethyl]prop-2-yn-1-amine
CID 60695100
N-[3-(4-bromo-2-chlorophenoxy)propyl]butan-1-amine
CID 2297485
N-[2-(4-chloro-2-methylphenoxy)ethyl]propan-1-amine
CID 29015804
N-[2-(2-chloro-4-phenylphenoxy)ethyl]butan-1-amine
CID 63506720
N-[2-(2-chloro-5-methylphenoxy)ethyl]butan-1-amine
CID 27274455
butyl-[5-(2,4-dichlorophenoxy)pentyl]azanium
CID 2247783
N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-butoxypropan-1-amine
CID 17207665
2-butoxy-N-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethyl]ethanamine
CID 103175707
1-bromobutane;1-butoxy-2,4-dichlorobenzene;2,4-dichlorophenol
CID 161381975

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-[2-(2,4-dichlorophenoxy)ethyl]ethanamine?
The IUPAC name of 2-butoxy-N-[2-(2,4-dichlorophenoxy)ethyl]ethanamine (CID 62571535) is 2-butoxy-N-[2-(2,4-dichlorophenoxy)ethyl]ethanamine.
What is the SMILES notation for 2-butoxy-N-[2-(2,4-dichlorophenoxy)ethyl]ethanamine?
The canonical SMILES for 2-butoxy-N-[2-(2,4-dichlorophenoxy)ethyl]ethanamine is CCCCOCCNCCOc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-butoxy-N-[2-(2,4-dichlorophenoxy)ethyl]ethanamine?
The InChIKey is STRJXSBNXGFNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2NO2/c1-2-3-8-18-9-6-17-7-10-19-14-5-4-12(15)11-13(14)16/h4-5,11,17H,2-3,6-10H2,1H3.
What are the key properties of 2-butoxy-N-[2-(2,4-dichlorophenoxy)ethyl]ethanamine?
2-butoxy-N-[2-(2,4-dichlorophenoxy)ethyl]ethanamine has a molecular weight of 306.23 g/mol, XLogP of 3.78, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-[2-(2,4-dichlorophenoxy)ethyl]ethanamine is sourced from PubChem (CID 62571535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).