1-(2,4-dichlorophenyl)-5-ethoxy-N-ethylpentan-2-amine

C15H23Cl2NO — CID 105132456

IUPAC1-(2,4-dichlorophenyl)-5-ethoxy-N-ethylpentan-2-amine
SMILESCCNC(CCCOCC)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H23Cl2NO/c1-3-18-14(6-5-9-19-4-2)10-12-7-8-13(16)11-15(12)17/h7-8,11,14,18H,3-6,9-10H2,1-2H3
InChIKeyHTZBBKJJELFWJV-UHFFFAOYSA-N
MW304.26 g/mol
LogP4.33
Rot. Bonds9

About 1-(2,4-dichlorophenyl)-5-ethoxy-N-ethylpentan-2-amine

1-(2,4-dichlorophenyl)-5-ethoxy-N-ethylpentan-2-amine (PubChem CID 105132456) has the molecular formula C15H23Cl2NO and a molecular weight of 304.26 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-5-ethoxy-N-ethylpentan-2-amine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-5-ethoxy-N-ethylpentan-2-amine
PubChem CID105132456
Molecular FormulaC15H23Cl2NO
Molecular Weight304.26 g/mol
Exact Mass303.12
IUPAC Name1-(2,4-dichlorophenyl)-5-ethoxy-N-ethylpentan-2-amine
SMILESCCNC(CCCOCC)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H23Cl2NO/c1-3-18-14(6-5-9-19-4-2)10-12-7-8-13(16)11-15(12)17/h7-8,11,14,18H,3-6,9-10H2,1-2H3
InChIKeyHTZBBKJJELFWJV-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)-4-ethoxy-N-propylbutan-2-amine
CID 115601707
1-(2,4-dichlorophenyl)-N-ethyl-5,5-dimethylhexan-2-amine
CID 63413199
1-(5-bromo-2-fluorophenyl)-5-ethoxy-N-ethylpentan-2-amine
CID 105131796
1-(2,4-dichlorophenyl)-N-ethyl-4-phenylbutan-2-amine
CID 60819236
1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-ethylbutan-2-amine
CID 105137424
[1-(2,4-dichlorophenyl)-5-methoxypentan-2-yl]hydrazine
CID 105200199
1-(2,4-dichlorophenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65132131
methyl 4-(2,4-dichlorophenyl)-3-(ethylamino)butanoate
CID 82351330
1-(4-chloro-2-fluorophenyl)-N-ethylnonan-2-amine
CID 105055551
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-5-ethoxy-N-ethylpentan-2-amine
CID 105178381
3-(2,4-dichlorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine
CID 79495499
1-(3-chlorophenyl)-5-ethoxy-N-propylpentan-2-amine
CID 105086143

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-5-ethoxy-N-ethylpentan-2-amine?
The IUPAC name of 1-(2,4-dichlorophenyl)-5-ethoxy-N-ethylpentan-2-amine (CID 105132456) is 1-(2,4-dichlorophenyl)-5-ethoxy-N-ethylpentan-2-amine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-5-ethoxy-N-ethylpentan-2-amine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-5-ethoxy-N-ethylpentan-2-amine is CCNC(CCCOCC)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-5-ethoxy-N-ethylpentan-2-amine?
The InChIKey is HTZBBKJJELFWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2NO/c1-3-18-14(6-5-9-19-4-2)10-12-7-8-13(16)11-15(12)17/h7-8,11,14,18H,3-6,9-10H2,1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-5-ethoxy-N-ethylpentan-2-amine?
1-(2,4-dichlorophenyl)-5-ethoxy-N-ethylpentan-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)-5-ethoxy-N-ethylpentan-2-amine is sourced from PubChem (CID 105132456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).