2,4-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline

C16H17Cl2N — CID 43105982

IUPAC2,4-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline
SMILESCc1ccc(C(C)Nc2ccc(Cl)cc2Cl)c(C)c1
InChIInChI=1S/C16H17Cl2N/c1-10-4-6-14(11(2)8-10)12(3)19-16-7-5-13(17)9-15(16)18/h4-9,12,19H,1-3H3
InChIKeyJLMDNBWNTKICHJ-UHFFFAOYSA-N
MW294.23 g/mol
LogP5.78
Rot. Bonds3

About 2,4-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline

2,4-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline (PubChem CID 43105982) has the molecular formula C16H17Cl2N and a molecular weight of 294.23 g/mol. Its IUPAC name is 2,4-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline.

Molecular Properties

Compound Name2,4-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline
PubChem CID43105982
Molecular FormulaC16H17Cl2N
Molecular Weight294.23 g/mol
Exact Mass293.07
IUPAC Name2,4-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline
SMILESCc1ccc(C(C)Nc2ccc(Cl)cc2Cl)c(C)c1
InChIInChI=1S/C16H17Cl2N/c1-10-4-6-14(11(2)8-10)12(3)19-16-7-5-13(17)9-15(16)18/h4-9,12,19H,1-3H3
InChIKeyJLMDNBWNTKICHJ-UHFFFAOYSA-N
XLogP5.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.23
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2,4-dichlorophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine
CID 43105207
4-chloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline
CID 43097496
2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-5-methylaniline
CID 82761651
2,4-dichloro-N-[1-(2-chlorophenyl)ethyl]aniline
CID 43081262
4-bromo-2-chloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline
CID 43347271
2,4-dichloro-N-[1-(3-methylphenyl)ethyl]aniline
CID 43758710
N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-chloro-4-methylaniline
CID 82963042
2-bromo-3-chloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline
CID 103477851
2-[1-(2,4-dichlorophenyl)ethylamino]-5-methylbenzoic acid
CID 63528171
2-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methylaniline
CID 43772675
3-[1-(2,4-dimethylphenyl)ethylamino]-2,6-dimethylphenol
CID 43741839
2,4-dimethyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline
CID 43104045

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline?
The IUPAC name of 2,4-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline (CID 43105982) is 2,4-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline.
What is the SMILES notation for 2,4-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline?
The canonical SMILES for 2,4-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline is Cc1ccc(C(C)Nc2ccc(Cl)cc2Cl)c(C)c1.
What is the InChIKey of 2,4-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline?
The InChIKey is JLMDNBWNTKICHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N/c1-10-4-6-14(11(2)8-10)12(3)19-16-7-5-13(17)9-15(16)18/h4-9,12,19H,1-3H3.
What are the key properties of 2,4-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline?
2,4-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline has a molecular weight of 294.23 g/mol, XLogP of 5.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline is sourced from PubChem (CID 43105982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).