3-(2,4-dichlorophenoxy)-5-propoxyaniline

C15H15Cl2NO2 — CID 80748821

IUPAC3-(2,4-dichlorophenoxy)-5-propoxyaniline
SMILESCCCOc1cc(N)cc(Oc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C15H15Cl2NO2/c1-2-5-19-12-7-11(18)8-13(9-12)20-15-4-3-10(16)6-14(15)17/h3-4,6-9H,2,5,18H2,1H3
InChIKeyAGYQSECTGQFGTR-UHFFFAOYSA-N
MW312.20 g/mol
LogP5.16
Rot. Bonds5

About 3-(2,4-dichlorophenoxy)-5-propoxyaniline

3-(2,4-dichlorophenoxy)-5-propoxyaniline (PubChem CID 80748821) has the molecular formula C15H15Cl2NO2 and a molecular weight of 312.20 g/mol. Its IUPAC name is 3-(2,4-dichlorophenoxy)-5-propoxyaniline.

Molecular Properties

Compound Name3-(2,4-dichlorophenoxy)-5-propoxyaniline
PubChem CID80748821
Molecular FormulaC15H15Cl2NO2
Molecular Weight312.20 g/mol
Exact Mass311.05
IUPAC Name3-(2,4-dichlorophenoxy)-5-propoxyaniline
SMILESCCCOc1cc(N)cc(Oc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C15H15Cl2NO2/c1-2-5-19-12-7-11(18)8-13(9-12)20-15-4-3-10(16)6-14(15)17/h3-4,6-9H,2,5,18H2,1H3
InChIKeyAGYQSECTGQFGTR-UHFFFAOYSA-N
XLogP5.16
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.20
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-bromo-2-fluorophenoxy)-5-propoxyaniline
CID 80748838
3-(2-bromo-4-chlorophenoxy)-5-ethoxyaniline
CID 80747933
3-(4-chloro-3-methylphenoxy)-5-propoxyaniline
CID 80749221
4-(2,4-dichlorophenoxy)-2-ethoxyaniline
CID 63675211
3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-propoxyaniline
CID 103174344
3-N-(5-chloro-2-methoxyphenyl)-5-propoxybenzene-1,3-diamine
CID 80725424
2,4-dichloro-1-(3,5-dimethoxyphenoxy)benzene
CID 102485149
[3-chloro-4-(4-propoxyphenoxy)phenyl]methanamine
CID 63087182
3-N-(5-chloro-2-fluorophenyl)-5-propoxybenzene-1,3-diamine
CID 80721719
2-[2-(3-amino-5-propoxyphenoxy)phenyl]ethanol
CID 107712095
3-(2-ethoxyethoxy)-5-propoxyaniline
CID 80748385
2-(2,4-dichlorophenoxy)-4-ethoxy-5-fluoroaniline
CID 63593248

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenoxy)-5-propoxyaniline?
The IUPAC name of 3-(2,4-dichlorophenoxy)-5-propoxyaniline (CID 80748821) is 3-(2,4-dichlorophenoxy)-5-propoxyaniline.
What is the SMILES notation for 3-(2,4-dichlorophenoxy)-5-propoxyaniline?
The canonical SMILES for 3-(2,4-dichlorophenoxy)-5-propoxyaniline is CCCOc1cc(N)cc(Oc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 3-(2,4-dichlorophenoxy)-5-propoxyaniline?
The InChIKey is AGYQSECTGQFGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2/c1-2-5-19-12-7-11(18)8-13(9-12)20-15-4-3-10(16)6-14(15)17/h3-4,6-9H,2,5,18H2,1H3.
What are the key properties of 3-(2,4-dichlorophenoxy)-5-propoxyaniline?
3-(2,4-dichlorophenoxy)-5-propoxyaniline has a molecular weight of 312.20 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenoxy)-5-propoxyaniline is sourced from PubChem (CID 80748821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).