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

C16H18Cl2N2 — CID 105132810

IUPAC4-[1-amino-2-(2,4-dichlorophenyl)ethyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(N)Cc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H18Cl2N2/c1-20(2)14-7-4-11(5-8-14)16(19)9-12-3-6-13(17)10-15(12)18/h3-8,10,16H,9,19H2,1-2H3
InChIKeyOFBPSRIMVGWBSQ-UHFFFAOYSA-N
MW309.24 g/mol
LogP4.30
Rot. Bonds4

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

4-[1-amino-2-(2,4-dichlorophenyl)ethyl]-N,N-dimethylaniline (PubChem CID 105132810) has the molecular formula C16H18Cl2N2 and a molecular weight of 309.24 g/mol. Its IUPAC name is 4-[1-amino-2-(2,4-dichlorophenyl)ethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[1-amino-2-(2,4-dichlorophenyl)ethyl]-N,N-dimethylaniline
PubChem CID105132810
Molecular FormulaC16H18Cl2N2
Molecular Weight309.24 g/mol
Exact Mass308.08
IUPAC Name4-[1-amino-2-(2,4-dichlorophenyl)ethyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(N)Cc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H18Cl2N2/c1-20(2)14-7-4-11(5-8-14)16(19)9-12-3-6-13(17)10-15(12)18/h3-8,10,16H,9,19H2,1-2H3
InChIKeyOFBPSRIMVGWBSQ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[1-amino-2-(2-chloro-4-methylphenyl)ethyl]-N,N-dimethylaniline
CID 106867526
3-[1-amino-2-(2,4-dichlorophenyl)ethyl]-N,N-dimethylaniline
CID 105132494
2-(2,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 63414213
4-[1-amino-2-(3,4-dichlorophenyl)ethyl]-N,N-dimethylaniline
CID 105136553
1-(3,5-dibromophenyl)-2-(2,4-dichlorophenyl)ethanamine
CID 107974357
2-(4-chloro-2-fluorophenyl)-1-[4-(dimethylamino)phenyl]ethanol
CID 114851952
2-(2,4-dichlorophenyl)-1-(5-methylthiophen-3-yl)ethanamine
CID 65104603
4-[2-(4-chloro-2-fluorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline
CID 105342647
2-(2,4-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 62797331
2-(2,5-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 65321175
4-(2-aminopropyl)-3-chloro-N,N-dimethylaniline;dihydrochloride
CID 3043609
1-(3-bromo-4-methoxyphenyl)-2-(2,4-dichlorophenyl)ethanamine
CID 115840124

Frequently Asked Questions

What is the IUPAC name of 4-[1-amino-2-(2,4-dichlorophenyl)ethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[1-amino-2-(2,4-dichlorophenyl)ethyl]-N,N-dimethylaniline (CID 105132810) is 4-[1-amino-2-(2,4-dichlorophenyl)ethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[1-amino-2-(2,4-dichlorophenyl)ethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[1-amino-2-(2,4-dichlorophenyl)ethyl]-N,N-dimethylaniline is CN(C)c1ccc(C(N)Cc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 4-[1-amino-2-(2,4-dichlorophenyl)ethyl]-N,N-dimethylaniline?
The InChIKey is OFBPSRIMVGWBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2/c1-20(2)14-7-4-11(5-8-14)16(19)9-12-3-6-13(17)10-15(12)18/h3-8,10,16H,9,19H2,1-2H3.
What are the key properties of 4-[1-amino-2-(2,4-dichlorophenyl)ethyl]-N,N-dimethylaniline?
4-[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 4-[1-amino-2-(2,4-dichlorophenyl)ethyl]-N,N-dimethylaniline is sourced from PubChem (CID 105132810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).