N-[2-(2,4-dichlorophenoxy)butyl]-N-ethylaniline

C18H21Cl2NO — CID 70632627

IUPACN-[2-(2,4-dichlorophenoxy)butyl]-N-ethylaniline
SMILESCCC(CN(CC)c1ccccc1)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H21Cl2NO/c1-3-16(22-18-11-10-14(19)12-17(18)20)13-21(4-2)15-8-6-5-7-9-15/h5-12,16H,3-4,13H2,1-2H3
InChIKeyVAFMFVNSSITJNK-UHFFFAOYSA-N
MW338.28 g/mol
LogP5.68
Rot. Bonds7

About N-[2-(2,4-dichlorophenoxy)butyl]-N-ethylaniline

N-[2-(2,4-dichlorophenoxy)butyl]-N-ethylaniline (PubChem CID 70632627) has the molecular formula C18H21Cl2NO and a molecular weight of 338.28 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenoxy)butyl]-N-ethylaniline.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenoxy)butyl]-N-ethylaniline
PubChem CID70632627
Molecular FormulaC18H21Cl2NO
Molecular Weight338.28 g/mol
Exact Mass337.10
IUPAC NameN-[2-(2,4-dichlorophenoxy)butyl]-N-ethylaniline
SMILESCCC(CN(CC)c1ccccc1)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H21Cl2NO/c1-3-16(22-18-11-10-14(19)12-17(18)20)13-21(4-2)15-8-6-5-7-9-15/h5-12,16H,3-4,13H2,1-2H3
InChIKeyVAFMFVNSSITJNK-UHFFFAOYSA-N
XLogP5.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.28
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-[2-(2-methylphenoxy)butyl]aniline
CID 70632478
N-ethyl-N-[2-(2-ethylphenoxy)butyl]aniline
CID 70633070
N-ethyl-N-[2-(4-phenylphenoxy)butyl]aniline
CID 70633219
N-ethyl-N-[2-(4-ethylphenoxy)butyl]aniline
CID 70632928
1-(2,4-dichlorophenoxy)propan-1-ol
CID 3017057
N-tert-butyl-2-(2,4-dichlorophenoxy)butan-1-amine
CID 63497352
3-(2,4-dichlorophenoxy)pentane-1-sulfonic acid
CID 88683157
4-bromo-2-chloro-1-pentan-3-yloxybenzene
CID 68867581
2,4-dichloro-1-(1-chlorohexan-2-yloxy)benzene
CID 70463022
3-chloro-N-[1-(2,4-dichlorophenoxy)ethyl]-N-propylaniline
CID 70632637
2-(2,4-dichlorophenoxy)-N-[ethyl(phenyl)carbamothioyl]propanamide
CID 3323443
2-(2,4-dichlorophenoxy)-N-ethyl-2-phenylethanamine
CID 62460096

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenoxy)butyl]-N-ethylaniline?
The IUPAC name of N-[2-(2,4-dichlorophenoxy)butyl]-N-ethylaniline (CID 70632627) is N-[2-(2,4-dichlorophenoxy)butyl]-N-ethylaniline.
What is the SMILES notation for N-[2-(2,4-dichlorophenoxy)butyl]-N-ethylaniline?
The canonical SMILES for N-[2-(2,4-dichlorophenoxy)butyl]-N-ethylaniline is CCC(CN(CC)c1ccccc1)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(2,4-dichlorophenoxy)butyl]-N-ethylaniline?
The InChIKey is VAFMFVNSSITJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2NO/c1-3-16(22-18-11-10-14(19)12-17(18)20)13-21(4-2)15-8-6-5-7-9-15/h5-12,16H,3-4,13H2,1-2H3.
What are the key properties of N-[2-(2,4-dichlorophenoxy)butyl]-N-ethylaniline?
N-[2-(2,4-dichlorophenoxy)butyl]-N-ethylaniline has a molecular weight of 338.28 g/mol, XLogP of 5.68, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenoxy)butyl]-N-ethylaniline is sourced from PubChem (CID 70632627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).