[4-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]methanamine

C15H15Cl2NO2 — CID 20992565

IUPAC[4-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]methanamine
SMILESNCc1ccc(OCCOc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H15Cl2NO2/c16-12-3-6-15(14(17)9-12)20-8-7-19-13-4-1-11(10-18)2-5-13/h1-6,9H,7-8,10,18H2
InChIKeyRVPRCNGSBWQBSP-UHFFFAOYSA-N
MW312.20 g/mol
LogP3.91
Rot. Bonds6

About [4-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]methanamine

[4-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]methanamine (PubChem CID 20992565) has the molecular formula C15H15Cl2NO2 and a molecular weight of 312.20 g/mol. Its IUPAC name is [4-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]methanamine
PubChem CID20992565
Molecular FormulaC15H15Cl2NO2
Molecular Weight312.20 g/mol
Exact Mass311.05
IUPAC Name[4-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]methanamine
SMILESNCc1ccc(OCCOc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H15Cl2NO2/c16-12-3-6-15(14(17)9-12)20-8-7-19-13-4-1-11(10-18)2-5-13/h1-6,9H,7-8,10,18H2
InChIKeyRVPRCNGSBWQBSP-UHFFFAOYSA-N
XLogP3.91
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-[3-(2,4-dichlorophenoxy)propoxy]phenyl]methanamine
CID 43531172
[4-[3-(4-chloro-2-methylphenoxy)propoxy]phenyl]methanamine
CID 43531205
[4-[2-(3,4-dichlorophenoxy)ethoxy]phenyl]methanamine
CID 60999813
2-[4-[2-(2-chloro-4-fluorophenoxy)ethoxy]phenyl]ethanamine
CID 60971172
2,4-dichloro-1-[3-(4-methoxyphenoxy)propoxy]benzene
CID 2252113
6-(2,4-dichlorophenoxy)hexan-1-amine
CID 21467390
[4-[2-(2-bromo-4-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 104706837
2-[4-[2-(2,4-dichlorophenoxy)ethoxy]-3-methoxyphenyl]ethanamine
CID 22685432
5-chloro-2-[2-(4-chlorophenoxy)ethoxy]aniline
CID 39418964
[4-[2-(5-bromo-2-fluorophenoxy)ethoxy]phenyl]methanamine
CID 114671943
2-[2-(2,4-dichlorophenoxy)ethoxy]aniline
CID 39418958
[4-[2-(2,5-dimethylphenoxy)ethoxy]phenyl]methanamine
CID 20988768

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]methanamine?
The IUPAC name of [4-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]methanamine (CID 20992565) is [4-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]methanamine.
What is the SMILES notation for [4-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]methanamine?
The canonical SMILES for [4-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]methanamine is NCc1ccc(OCCOc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of [4-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]methanamine?
The InChIKey is RVPRCNGSBWQBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2/c16-12-3-6-15(14(17)9-12)20-8-7-19-13-4-1-11(10-18)2-5-13/h1-6,9H,7-8,10,18H2.
What are the key properties of [4-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]methanamine?
[4-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]methanamine has a molecular weight of 312.20 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]methanamine is sourced from PubChem (CID 20992565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).