3-(2,4-dichlorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine

C15H23Cl2NO2 — CID 79495499

IUPAC3-(2,4-dichlorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine
SMILESCCNC(Cc1ccc(Cl)cc1Cl)C(OCC)OCC
InChIInChI=1S/C15H23Cl2NO2/c1-4-18-14(15(19-5-2)20-6-3)9-11-7-8-12(16)10-13(11)17/h7-8,10,14-15,18H,4-6,9H2,1-3H3
InChIKeyBZCYKORNMNMCRC-UHFFFAOYSA-N
MW320.26 g/mol
LogP3.91
Rot. Bonds9

About 3-(2,4-dichlorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine

3-(2,4-dichlorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine (PubChem CID 79495499) has the molecular formula C15H23Cl2NO2 and a molecular weight of 320.26 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine
PubChem CID79495499
Molecular FormulaC15H23Cl2NO2
Molecular Weight320.26 g/mol
Exact Mass319.11
IUPAC Name3-(2,4-dichlorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine
SMILESCCNC(Cc1ccc(Cl)cc1Cl)C(OCC)OCC
InChIInChI=1S/C15H23Cl2NO2/c1-4-18-14(15(19-5-2)20-6-3)9-11-7-8-12(16)10-13(11)17/h7-8,10,14-15,18H,4-6,9H2,1-3H3
InChIKeyBZCYKORNMNMCRC-UHFFFAOYSA-N
XLogP3.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.26
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-dichlorophenyl)-N-ethyl-3-methylpentan-2-amine
CID 55228646
3-(4-chlorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine
CID 79496291
3-(2,4-dichlorophenyl)-1,1-diethoxypropan-2-ol
CID 79496239
3-(2,4-difluorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine
CID 79496290
3-(4-bromo-2-fluorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine
CID 79495115
1,1-diethoxy-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-2-amine
CID 114348126
3-(2,5-dimethylphenyl)-1,1-diethoxy-N-ethylpropan-2-amine
CID 79495019
1-(2-chloro-4-methylphenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 106868795
1-(2,4-dichlorophenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65132131
1-(2,4-dichlorophenyl)-5-ethoxy-N-ethylpentan-2-amine
CID 105132456
1-cyclopropyl-3-(2,5-dichlorophenyl)-1-ethoxy-N-ethylpropan-2-amine
CID 116723730
1-(4-bromo-2-chlorophenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 116718017

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine?
The IUPAC name of 3-(2,4-dichlorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine (CID 79495499) is 3-(2,4-dichlorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine?
The canonical SMILES for 3-(2,4-dichlorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine is CCNC(Cc1ccc(Cl)cc1Cl)C(OCC)OCC.
What is the InChIKey of 3-(2,4-dichlorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine?
The InChIKey is BZCYKORNMNMCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2NO2/c1-4-18-14(15(19-5-2)20-6-3)9-11-7-8-12(16)10-13(11)17/h7-8,10,14-15,18H,4-6,9H2,1-3H3.
What are the key properties of 3-(2,4-dichlorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine?
3-(2,4-dichlorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine has a molecular weight of 320.26 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine is sourced from PubChem (CID 79495499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).