1-(2,4-dichlorophenyl)-4-ethoxy-N-propylbutan-2-amine

C15H23Cl2NO — CID 115601707

IUPAC1-(2,4-dichlorophenyl)-4-ethoxy-N-propylbutan-2-amine
SMILESCCCNC(CCOCC)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H23Cl2NO/c1-3-8-18-14(7-9-19-4-2)10-12-5-6-13(16)11-15(12)17/h5-6,11,14,18H,3-4,7-10H2,1-2H3
InChIKeyWLJMBZQOHAPVRK-UHFFFAOYSA-N
MW304.26 g/mol
LogP4.33
Rot. Bonds9

About 1-(2,4-dichlorophenyl)-4-ethoxy-N-propylbutan-2-amine

1-(2,4-dichlorophenyl)-4-ethoxy-N-propylbutan-2-amine (PubChem CID 115601707) has the molecular formula C15H23Cl2NO and a molecular weight of 304.26 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-4-ethoxy-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-4-ethoxy-N-propylbutan-2-amine
PubChem CID115601707
Molecular FormulaC15H23Cl2NO
Molecular Weight304.26 g/mol
Exact Mass303.12
IUPAC Name1-(2,4-dichlorophenyl)-4-ethoxy-N-propylbutan-2-amine
SMILESCCCNC(CCOCC)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H23Cl2NO/c1-3-8-18-14(7-9-19-4-2)10-12-5-6-13(16)11-15(12)17/h5-6,11,14,18H,3-4,7-10H2,1-2H3
InChIKeyWLJMBZQOHAPVRK-UHFFFAOYSA-N
XLogP4.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-dichlorophenyl)-5-ethoxy-N-ethylpentan-2-amine
CID 105132456
1-(2,4-dichlorophenyl)-N-propylhex-4-yn-2-amine
CID 62309590
1-(2-bromo-4-fluorophenyl)-4-ethoxy-N-propylbutan-2-amine
CID 105136270
1-(2,5-dichlorophenyl)-4-ethoxy-N-methylbutan-2-amine
CID 105151407
1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-ethylbutan-2-amine
CID 105137424
1-(2,4-dichlorophenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824912
1-(2-chloro-4-methylphenyl)-5-methoxy-N-propylpentan-2-amine
CID 106866613
1-(3-chlorophenyl)-5-ethoxy-N-propylpentan-2-amine
CID 105086143
1-(2,4-dichlorophenyl)-N-ethyl-5,5-dimethylhexan-2-amine
CID 63413199
1-(2,4-dichlorophenyl)-4-(2,2-difluoroethoxy)-N-methylbutan-2-amine
CID 103149314
1-(3,5-dimethylphenyl)-4-ethoxy-N-propylbutan-2-amine
CID 112688283
1-(2,4-dichlorophenyl)-N-ethyl-4-phenylbutan-2-amine
CID 60819236

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-4-ethoxy-N-propylbutan-2-amine?
The IUPAC name of 1-(2,4-dichlorophenyl)-4-ethoxy-N-propylbutan-2-amine (CID 115601707) is 1-(2,4-dichlorophenyl)-4-ethoxy-N-propylbutan-2-amine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-4-ethoxy-N-propylbutan-2-amine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-4-ethoxy-N-propylbutan-2-amine is CCCNC(CCOCC)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-4-ethoxy-N-propylbutan-2-amine?
The InChIKey is WLJMBZQOHAPVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2NO/c1-3-8-18-14(7-9-19-4-2)10-12-5-6-13(16)11-15(12)17/h5-6,11,14,18H,3-4,7-10H2,1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-4-ethoxy-N-propylbutan-2-amine?
1-(2,4-dichlorophenyl)-4-ethoxy-N-propylbutan-2-amine has a molecular weight of 304.26 g/mol, XLogP of 4.33, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-4-ethoxy-N-propylbutan-2-amine is sourced from PubChem (CID 115601707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).