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

C12H17Cl2N — CID 28521288

IUPAC2,4-dichloro-N-(2-ethylbutyl)aniline
SMILESCCC(CC)CNc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2N/c1-3-9(4-2)8-15-12-6-5-10(13)7-11(12)14/h5-7,9,15H,3-4,8H2,1-2H3
InChIKeyHGANFWWRIHWKJN-UHFFFAOYSA-N
MW246.18 g/mol
LogP4.84
Rot. Bonds5

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

2,4-dichloro-N-(2-ethylbutyl)aniline (PubChem CID 28521288) has the molecular formula C12H17Cl2N and a molecular weight of 246.18 g/mol. Its IUPAC name is 2,4-dichloro-N-(2-ethylbutyl)aniline.

Molecular Properties

Compound Name2,4-dichloro-N-(2-ethylbutyl)aniline
PubChem CID28521288
Molecular FormulaC12H17Cl2N
Molecular Weight246.18 g/mol
Exact Mass245.07
IUPAC Name2,4-dichloro-N-(2-ethylbutyl)aniline
SMILESCCC(CC)CNc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2N/c1-3-9(4-2)8-15-12-6-5-10(13)7-11(12)14/h5-7,9,15H,3-4,8H2,1-2H3
InChIKeyHGANFWWRIHWKJN-UHFFFAOYSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.18
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dichloro-N-(2,2-diethoxyethyl)aniline
CID 81093226
2-chloro-N-(2-ethylbutyl)aniline
CID 29278221
5-chloro-N-(2-ethylbutyl)-2-methoxyaniline
CID 29289314
4-chloro-N-(2-ethylhexyl)-2-fluoroaniline
CID 55197144
4-bromo-2-chloro-N-(2-ethylhexyl)aniline
CID 63489227
N-(2,4-dichlorophenyl)-N'-propan-2-ylethane-1,2-diamine
CID 54806248
ethyl 4-(2,4-dichloroanilino)-3-hydroxybutanoate
CID 103232249
2,4-dichloro-N-decylaniline
CID 63489638
N-[2-(4-tert-butylphenoxy)propyl]-2,4-dichloroaniline
CID 54796195
2,4-dichloro-N-(2-ethylbutyl)benzamide
CID 84513268
2,4-dichloro-N-(4-methylpentyl)aniline
CID 83155981
4-chloro-2-methyl-N-(2-methylbutyl)aniline
CID 43093539

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(2-ethylbutyl)aniline?
The IUPAC name of 2,4-dichloro-N-(2-ethylbutyl)aniline (CID 28521288) is 2,4-dichloro-N-(2-ethylbutyl)aniline.
What is the SMILES notation for 2,4-dichloro-N-(2-ethylbutyl)aniline?
The canonical SMILES for 2,4-dichloro-N-(2-ethylbutyl)aniline is CCC(CC)CNc1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(2-ethylbutyl)aniline?
The InChIKey is HGANFWWRIHWKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N/c1-3-9(4-2)8-15-12-6-5-10(13)7-11(12)14/h5-7,9,15H,3-4,8H2,1-2H3.
What are the key properties of 2,4-dichloro-N-(2-ethylbutyl)aniline?
2,4-dichloro-N-(2-ethylbutyl)aniline has a molecular weight of 246.18 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(2-ethylbutyl)aniline is sourced from PubChem (CID 28521288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).