1-[1-(2,4-dichlorophenyl)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol

C15H23Cl2NO3 — CID 60632117

IUPAC1-[1-(2,4-dichlorophenyl)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol
SMILESCCOCCOCC(O)CNC(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H23Cl2NO3/c1-3-20-6-7-21-10-13(19)9-18-11(2)14-5-4-12(16)8-15(14)17/h4-5,8,11,13,18-19H,3,6-7,9-10H2,1-2H3
InChIKeyWDWWEWMBDVGEDN-UHFFFAOYSA-N
MW336.26 g/mol
LogP3.06
Rot. Bonds10

About 1-[1-(2,4-dichlorophenyl)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol

1-[1-(2,4-dichlorophenyl)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol (PubChem CID 60632117) has the molecular formula C15H23Cl2NO3 and a molecular weight of 336.26 g/mol. Its IUPAC name is 1-[1-(2,4-dichlorophenyl)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[1-(2,4-dichlorophenyl)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol
PubChem CID60632117
Molecular FormulaC15H23Cl2NO3
Molecular Weight336.26 g/mol
Exact Mass335.11
IUPAC Name1-[1-(2,4-dichlorophenyl)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol
SMILESCCOCCOCC(O)CNC(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H23Cl2NO3/c1-3-20-6-7-21-10-13(19)9-18-11(2)14-5-4-12(16)8-15(14)17/h4-5,8,11,13,18-19H,3,6-7,9-10H2,1-2H3
InChIKeyWDWWEWMBDVGEDN-UHFFFAOYSA-N
XLogP3.06
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.26
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]propan-2-ol
CID 93082094
1-[1-(2,4-dichlorophenyl)ethylamino]-3-ethylpentan-2-ol
CID 106284484
1-(2-ethoxyethoxy)-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol
CID 81348053
N-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904235
1-(2-ethoxyethoxy)-3-[1-(furan-2-yl)ethylamino]propan-2-ol
CID 54938711
1-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 81355790
1-[1-(3-bromophenyl)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol
CID 60746287
N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpentan-1-amine
CID 43095140
1-cyclopropyl-2-[1-(2,4-dichlorophenyl)ethylamino]ethanol
CID 63294934
4-chloro-2-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]benzonitrile
CID 64918343
N-[1-(2,4-dichlorophenyl)ethyl]-2-methylsulfanylpropan-1-amine
CID 115760939
1-(2,4-dichlorophenyl)-N-(2-ethoxyethyl)propan-1-amine
CID 43590907

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dichlorophenyl)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol?
The IUPAC name of 1-[1-(2,4-dichlorophenyl)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol (CID 60632117) is 1-[1-(2,4-dichlorophenyl)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-[1-(2,4-dichlorophenyl)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol?
The canonical SMILES for 1-[1-(2,4-dichlorophenyl)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol is CCOCCOCC(O)CNC(C)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[1-(2,4-dichlorophenyl)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol?
The InChIKey is WDWWEWMBDVGEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2NO3/c1-3-20-6-7-21-10-13(19)9-18-11(2)14-5-4-12(16)8-15(14)17/h4-5,8,11,13,18-19H,3,6-7,9-10H2,1-2H3.
What are the key properties of 1-[1-(2,4-dichlorophenyl)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol?
1-[1-(2,4-dichlorophenyl)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol has a molecular weight of 336.26 g/mol, XLogP of 3.06, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dichlorophenyl)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol is sourced from PubChem (CID 60632117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).