4-[1-(4-chlorophenyl)ethyl]-N,N-dimethylaniline

C16H18ClN — CID 58923332

IUPAC4-[1-(4-chlorophenyl)ethyl]-N,N-dimethylaniline
SMILESCC(c1ccc(Cl)cc1)c1ccc(N(C)C)cc1
InChIInChI=1S/C16H18ClN/c1-12(13-4-8-15(17)9-5-13)14-6-10-16(11-7-14)18(2)3/h4-12H,1-3H3
InChIKeyHGNCYKNCONTJKG-UHFFFAOYSA-N
MW259.78 g/mol
LogP4.56
Rot. Bonds3

About 4-[1-(4-chlorophenyl)ethyl]-N,N-dimethylaniline

4-[1-(4-chlorophenyl)ethyl]-N,N-dimethylaniline (PubChem CID 58923332) has the molecular formula C16H18ClN and a molecular weight of 259.78 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)ethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)ethyl]-N,N-dimethylaniline
PubChem CID58923332
Molecular FormulaC16H18ClN
Molecular Weight259.78 g/mol
Exact Mass259.11
IUPAC Name4-[1-(4-chlorophenyl)ethyl]-N,N-dimethylaniline
SMILESCC(c1ccc(Cl)cc1)c1ccc(N(C)C)cc1
InChIInChI=1S/C16H18ClN/c1-12(13-4-8-15(17)9-5-13)14-6-10-16(11-7-14)18(2)3/h4-12H,1-3H3
InChIKeyHGNCYKNCONTJKG-UHFFFAOYSA-N
XLogP4.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chlorophenyl)-N,N-dimethylaniline
CID 2757476
N,N-dimethyl-4-propan-2-ylaniline;methane
CID 161012849
4-[(4-chlorophenyl)-(propylamino)methyl]-N,N-dimethylaniline
CID 105076350
4-[(4-chlorophenyl)diazenyl]-N,N-dimethylaniline
CID 17226
1-chloro-4-[1-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]ethyl]benzene
CID 122203276
N,N-dimethyl-4-[1-[4-(methylaminomethyl)phenyl]ethyl]aniline
CID 153497957
4-[(3,5-dichlorophenyl)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
CID 154612128
4-(1-aminoethyl)-N,N-dimethylaniline
CID 14341956
4-[(1R)-1-aminoethyl]-N,N-dimethylaniline
CID 14341957
2,4-dichloro-N-[1-[4-(dimethylamino)phenyl]ethyl]aniline
CID 43758692
4-[2-(4-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline
CID 105283238
4-[4-(dimethylamino)phenyl]-2-[1-[4-(dimethylamino)phenyl]ethyl]-N,N-dimethylaniline
CID 101099324

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)ethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[1-(4-chlorophenyl)ethyl]-N,N-dimethylaniline (CID 58923332) is 4-[1-(4-chlorophenyl)ethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[1-(4-chlorophenyl)ethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[1-(4-chlorophenyl)ethyl]-N,N-dimethylaniline is CC(c1ccc(Cl)cc1)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-[1-(4-chlorophenyl)ethyl]-N,N-dimethylaniline?
The InChIKey is HGNCYKNCONTJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN/c1-12(13-4-8-15(17)9-5-13)14-6-10-16(11-7-14)18(2)3/h4-12H,1-3H3.
What are the key properties of 4-[1-(4-chlorophenyl)ethyl]-N,N-dimethylaniline?
4-[1-(4-chlorophenyl)ethyl]-N,N-dimethylaniline has a molecular weight of 259.78 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)ethyl]-N,N-dimethylaniline is sourced from PubChem (CID 58923332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).