2,4-dichloro-N-(2,2-diethoxyethyl)aniline

C12H17Cl2NO2 — CID 81093226

IUPAC2,4-dichloro-N-(2,2-diethoxyethyl)aniline
SMILESCCOC(CNc1ccc(Cl)cc1Cl)OCC
InChIInChI=1S/C12H17Cl2NO2/c1-3-16-12(17-4-2)8-15-11-6-5-9(13)7-10(11)14/h5-7,12,15H,3-4,8H2,1-2H3
InChIKeySBDCJZUSFKQBKP-UHFFFAOYSA-N
MW278.18 g/mol
LogP3.80
Rot. Bonds7

About 2,4-dichloro-N-(2,2-diethoxyethyl)aniline

2,4-dichloro-N-(2,2-diethoxyethyl)aniline (PubChem CID 81093226) has the molecular formula C12H17Cl2NO2 and a molecular weight of 278.18 g/mol. Its IUPAC name is 2,4-dichloro-N-(2,2-diethoxyethyl)aniline.

Molecular Properties

Compound Name2,4-dichloro-N-(2,2-diethoxyethyl)aniline
PubChem CID81093226
Molecular FormulaC12H17Cl2NO2
Molecular Weight278.18 g/mol
Exact Mass277.06
IUPAC Name2,4-dichloro-N-(2,2-diethoxyethyl)aniline
SMILESCCOC(CNc1ccc(Cl)cc1Cl)OCC
InChIInChI=1S/C12H17Cl2NO2/c1-3-16-12(17-4-2)8-15-11-6-5-9(13)7-10(11)14/h5-7,12,15H,3-4,8H2,1-2H3
InChIKeySBDCJZUSFKQBKP-UHFFFAOYSA-N
XLogP3.80
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-dichlorophenyl)-3-(2,2-diethoxyethyl)urea
CID 3301738
2,4,6-trichloro-N-(2,2-diethoxyethyl)aniline
CID 81093868
2,4-dichloro-N-(2-ethylbutyl)aniline
CID 28521288
ethyl 4-(2,4-dichloroanilino)-3-hydroxybutanoate
CID 103232249
2,5-dichloro-N-(3,3-diethoxypropyl)aniline
CID 81093702
2-chloro-N-(3,3-diethoxypropyl)-4-fluoroaniline
CID 81094478
N-[2-(4-tert-butylphenoxy)propyl]-2,4-dichloroaniline
CID 54796195
N-(2,4-dichlorophenyl)-N'-propan-2-ylethane-1,2-diamine
CID 54806248
4-chloro-N-(3,3-diethoxypropyl)-2-(trifluoromethyl)aniline
CID 81094870
2,4-dichloro-N-decylaniline
CID 63489638
2,4-dichloro-N-(4-methylpentyl)aniline
CID 83155981
1-chloro-8-(2,2-diethoxyethylamino)anthracene-9,10-dione
CID 10022257

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(2,2-diethoxyethyl)aniline?
The IUPAC name of 2,4-dichloro-N-(2,2-diethoxyethyl)aniline (CID 81093226) is 2,4-dichloro-N-(2,2-diethoxyethyl)aniline.
What is the SMILES notation for 2,4-dichloro-N-(2,2-diethoxyethyl)aniline?
The canonical SMILES for 2,4-dichloro-N-(2,2-diethoxyethyl)aniline is CCOC(CNc1ccc(Cl)cc1Cl)OCC.
What is the InChIKey of 2,4-dichloro-N-(2,2-diethoxyethyl)aniline?
The InChIKey is SBDCJZUSFKQBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO2/c1-3-16-12(17-4-2)8-15-11-6-5-9(13)7-10(11)14/h5-7,12,15H,3-4,8H2,1-2H3.
What are the key properties of 2,4-dichloro-N-(2,2-diethoxyethyl)aniline?
2,4-dichloro-N-(2,2-diethoxyethyl)aniline has a molecular weight of 278.18 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(2,2-diethoxyethyl)aniline is sourced from PubChem (CID 81093226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).