N-[1-(2,5-dichlorophenoxy)ethyl]-N-methylaniline

C15H15Cl2NO — CID 70632490

IUPACN-[1-(2,5-dichlorophenoxy)ethyl]-N-methylaniline
SMILESCC(Oc1cc(Cl)ccc1Cl)N(C)c1ccccc1
InChIInChI=1S/C15H15Cl2NO/c1-11(18(2)13-6-4-3-5-7-13)19-15-10-12(16)8-9-14(15)17/h3-11H,1-2H3
InChIKeyIRHHUZQPDJYVIJ-UHFFFAOYSA-N
MW296.20 g/mol
LogP4.85
Rot. Bonds4

About N-[1-(2,5-dichlorophenoxy)ethyl]-N-methylaniline

N-[1-(2,5-dichlorophenoxy)ethyl]-N-methylaniline (PubChem CID 70632490) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is N-[1-(2,5-dichlorophenoxy)ethyl]-N-methylaniline.

Molecular Properties

Compound NameN-[1-(2,5-dichlorophenoxy)ethyl]-N-methylaniline
PubChem CID70632490
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC NameN-[1-(2,5-dichlorophenoxy)ethyl]-N-methylaniline
SMILESCC(Oc1cc(Cl)ccc1Cl)N(C)c1ccccc1
InChIInChI=1S/C15H15Cl2NO/c1-11(18(2)13-6-4-3-5-7-13)19-15-10-12(16)8-9-14(15)17/h3-11H,1-2H3
InChIKeyIRHHUZQPDJYVIJ-UHFFFAOYSA-N
XLogP4.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[1-(2,4-dichlorophenoxy)ethyl]-N-methylaniline
CID 70632825
1,4-dichloro-2-propan-2-yloxybenzene
CID 20527968
(2S)-2-(2,5-dichlorophenoxy)propanoic acid
CID 41097405
N-(2-cyanoethyl)-2-(2,5-dichlorophenoxy)-N-phenylpropanamide
CID 4817772
2-(2,5-dichlorophenoxy)propanoyl chloride
CID 23469841
(2R)-2-(2,5-dichlorophenoxy)propanoyl chloride
CID 51663788
2-(2,5-dichlorophenoxy)-2-phenylacetic acid
CID 22683206
(2R)-2-(2,5-dichlorophenoxy)-2-phenylacetic acid
CID 42177498
2-[[4-(2,5-dichlorophenoxy)-4-phenylbutyl]-methylamino]ethanol
CID 22715142
methyl (2R)-2-(2,5-dichlorophenoxy)propanoate
CID 103337705
2-(2,5-dichlorophenoxy)-N-propan-2-ylpropan-1-amine
CID 62450032
3-chloro-N-[1-(2,4-dichlorophenoxy)ethyl]-N-propylaniline
CID 70632637

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dichlorophenoxy)ethyl]-N-methylaniline?
The IUPAC name of N-[1-(2,5-dichlorophenoxy)ethyl]-N-methylaniline (CID 70632490) is N-[1-(2,5-dichlorophenoxy)ethyl]-N-methylaniline.
What is the SMILES notation for N-[1-(2,5-dichlorophenoxy)ethyl]-N-methylaniline?
The canonical SMILES for N-[1-(2,5-dichlorophenoxy)ethyl]-N-methylaniline is CC(Oc1cc(Cl)ccc1Cl)N(C)c1ccccc1.
What is the InChIKey of N-[1-(2,5-dichlorophenoxy)ethyl]-N-methylaniline?
The InChIKey is IRHHUZQPDJYVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c1-11(18(2)13-6-4-3-5-7-13)19-15-10-12(16)8-9-14(15)17/h3-11H,1-2H3.
What are the key properties of N-[1-(2,5-dichlorophenoxy)ethyl]-N-methylaniline?
N-[1-(2,5-dichlorophenoxy)ethyl]-N-methylaniline has a molecular weight of 296.20 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dichlorophenoxy)ethyl]-N-methylaniline is sourced from PubChem (CID 70632490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).