4-(3,4-dichlorophenoxy)-2-propan-2-yloxyaniline

C15H15Cl2NO2 — CID 83002626

IUPAC4-(3,4-dichlorophenoxy)-2-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(Oc2ccc(Cl)c(Cl)c2)ccc1N
InChIInChI=1S/C15H15Cl2NO2/c1-9(2)19-15-8-11(4-6-14(15)18)20-10-3-5-12(16)13(17)7-10/h3-9H,18H2,1-2H3
InChIKeyPBVFWHKKHAJBLQ-UHFFFAOYSA-N
MW312.20 g/mol
LogP5.16
Rot. Bonds4

About 4-(3,4-dichlorophenoxy)-2-propan-2-yloxyaniline

4-(3,4-dichlorophenoxy)-2-propan-2-yloxyaniline (PubChem CID 83002626) has the molecular formula C15H15Cl2NO2 and a molecular weight of 312.20 g/mol. Its IUPAC name is 4-(3,4-dichlorophenoxy)-2-propan-2-yloxyaniline.

Molecular Properties

Compound Name4-(3,4-dichlorophenoxy)-2-propan-2-yloxyaniline
PubChem CID83002626
Molecular FormulaC15H15Cl2NO2
Molecular Weight312.20 g/mol
Exact Mass311.05
IUPAC Name4-(3,4-dichlorophenoxy)-2-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(Oc2ccc(Cl)c(Cl)c2)ccc1N
InChIInChI=1S/C15H15Cl2NO2/c1-9(2)19-15-8-11(4-6-14(15)18)20-10-3-5-12(16)13(17)7-10/h3-9H,18H2,1-2H3
InChIKeyPBVFWHKKHAJBLQ-UHFFFAOYSA-N
XLogP5.16
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

4-(2-chloro-4-methylphenoxy)-2-propan-2-yloxyaniline
CID 83002698
4-(3,5-dimethylphenoxy)-2-propan-2-yloxyaniline
CID 83001907
4-(3-methylphenoxy)-2-propan-2-yloxyaniline
CID 83001982
2-chloro-4-propan-2-yloxyaniline
CID 62113434
4-(3-methylbutan-2-yloxy)-2-propan-2-yloxyaniline
CID 83002701
2-propan-2-yloxy-4-(2,3,5-trimethylphenoxy)aniline
CID 83005527
2-chloro-5-propan-2-yloxyaniline
CID 39237829
2-(3-chloro-4-fluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline
CID 63878623
2-chloro-4-(3,4-dichlorophenoxy)-6-propan-2-yloxy-1,3,5-triazine
CID 62869132
2-amino-5-(3,4-dichlorophenoxy)benzoic acid
CID 61000632
4-N-(4-chloro-3-fluorophenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83002172
4-amino-3-propan-2-yloxyphenol
CID 69025591

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenoxy)-2-propan-2-yloxyaniline?
The IUPAC name of 4-(3,4-dichlorophenoxy)-2-propan-2-yloxyaniline (CID 83002626) is 4-(3,4-dichlorophenoxy)-2-propan-2-yloxyaniline.
What is the SMILES notation for 4-(3,4-dichlorophenoxy)-2-propan-2-yloxyaniline?
The canonical SMILES for 4-(3,4-dichlorophenoxy)-2-propan-2-yloxyaniline is CC(C)Oc1cc(Oc2ccc(Cl)c(Cl)c2)ccc1N.
What is the InChIKey of 4-(3,4-dichlorophenoxy)-2-propan-2-yloxyaniline?
The InChIKey is PBVFWHKKHAJBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2/c1-9(2)19-15-8-11(4-6-14(15)18)20-10-3-5-12(16)13(17)7-10/h3-9H,18H2,1-2H3.
What are the key properties of 4-(3,4-dichlorophenoxy)-2-propan-2-yloxyaniline?
4-(3,4-dichlorophenoxy)-2-propan-2-yloxyaniline has a molecular weight of 312.20 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenoxy)-2-propan-2-yloxyaniline is sourced from PubChem (CID 83002626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).