3-[1-amino-2-(2,4-dichlorophenyl)ethyl]-N,N-dimethylaniline

C16H18Cl2N2 — CID 105132494

IUPAC3-[1-amino-2-(2,4-dichlorophenyl)ethyl]-N,N-dimethylaniline
SMILESCN(C)c1cccc(C(N)Cc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C16H18Cl2N2/c1-20(2)14-5-3-4-12(8-14)16(19)9-11-6-7-13(17)10-15(11)18/h3-8,10,16H,9,19H2,1-2H3
InChIKeyWIFMAZAIAHICTE-UHFFFAOYSA-N
MW309.24 g/mol
LogP4.30
Rot. Bonds4

About 3-[1-amino-2-(2,4-dichlorophenyl)ethyl]-N,N-dimethylaniline

3-[1-amino-2-(2,4-dichlorophenyl)ethyl]-N,N-dimethylaniline (PubChem CID 105132494) has the molecular formula C16H18Cl2N2 and a molecular weight of 309.24 g/mol. Its IUPAC name is 3-[1-amino-2-(2,4-dichlorophenyl)ethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[1-amino-2-(2,4-dichlorophenyl)ethyl]-N,N-dimethylaniline
PubChem CID105132494
Molecular FormulaC16H18Cl2N2
Molecular Weight309.24 g/mol
Exact Mass308.08
IUPAC Name3-[1-amino-2-(2,4-dichlorophenyl)ethyl]-N,N-dimethylaniline
SMILESCN(C)c1cccc(C(N)Cc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C16H18Cl2N2/c1-20(2)14-5-3-4-12(8-14)16(19)9-11-6-7-13(17)10-15(11)18/h3-8,10,16H,9,19H2,1-2H3
InChIKeyWIFMAZAIAHICTE-UHFFFAOYSA-N
XLogP4.30
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-amino-2-(2,4-dichlorophenyl)ethyl]-N,N-dimethylaniline
CID 105132810
3-[1-amino-2-(3-chloro-4-fluorophenyl)ethyl]-N,N-dimethylaniline
CID 103043235
3-[1-amino-2-(2-chloro-6-fluorophenyl)ethyl]-N,N-dimethylaniline
CID 105105636
3-[1-amino-2-(4-bromo-2-fluorophenyl)ethyl]-N,N-dimethylaniline
CID 105137133
2-(2,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 63414213
2-(2,4-dichlorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanamine
CID 115840311
2-(2,4-dichlorophenyl)-1-(2,6-dichlorophenyl)ethanamine
CID 115839922
3-[1-amino-2-(2-methoxyphenyl)ethyl]-N,N-dimethylaniline
CID 105107410
4-[1-amino-2-(2-chloro-4-methylphenyl)ethyl]-N,N-dimethylaniline
CID 106867526
3-[2-(4-bromo-2-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline
CID 105335162
1-(3,5-dibromophenyl)-2-(2,4-dichlorophenyl)ethanamine
CID 107974357
3-[1-amino-2-(3-methylphenyl)ethyl]-N,N-dimethylaniline
CID 105091075

Frequently Asked Questions

What is the IUPAC name of 3-[1-amino-2-(2,4-dichlorophenyl)ethyl]-N,N-dimethylaniline?
The IUPAC name of 3-[1-amino-2-(2,4-dichlorophenyl)ethyl]-N,N-dimethylaniline (CID 105132494) is 3-[1-amino-2-(2,4-dichlorophenyl)ethyl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[1-amino-2-(2,4-dichlorophenyl)ethyl]-N,N-dimethylaniline?
The canonical SMILES for 3-[1-amino-2-(2,4-dichlorophenyl)ethyl]-N,N-dimethylaniline is CN(C)c1cccc(C(N)Cc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 3-[1-amino-2-(2,4-dichlorophenyl)ethyl]-N,N-dimethylaniline?
The InChIKey is WIFMAZAIAHICTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2/c1-20(2)14-5-3-4-12(8-14)16(19)9-11-6-7-13(17)10-15(11)18/h3-8,10,16H,9,19H2,1-2H3.
What are the key properties of 3-[1-amino-2-(2,4-dichlorophenyl)ethyl]-N,N-dimethylaniline?
3-[1-amino-2-(2,4-dichlorophenyl)ethyl]-N,N-dimethylaniline has a molecular weight of 309.24 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-amino-2-(2,4-dichlorophenyl)ethyl]-N,N-dimethylaniline is sourced from PubChem (CID 105132494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).