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

C16H18Cl2N2 — CID 105136553

IUPAC4-[1-amino-2-(3,4-dichlorophenyl)ethyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(N)Cc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H18Cl2N2/c1-20(2)13-6-4-12(5-7-13)16(19)10-11-3-8-14(17)15(18)9-11/h3-9,16H,10,19H2,1-2H3
InChIKeyGXIMESYHIQAFHB-UHFFFAOYSA-N
MW309.24 g/mol
LogP4.30
Rot. Bonds4

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

4-[1-amino-2-(3,4-dichlorophenyl)ethyl]-N,N-dimethylaniline (PubChem CID 105136553) has the molecular formula C16H18Cl2N2 and a molecular weight of 309.24 g/mol. Its IUPAC name is 4-[1-amino-2-(3,4-dichlorophenyl)ethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[1-amino-2-(3,4-dichlorophenyl)ethyl]-N,N-dimethylaniline
PubChem CID105136553
Molecular FormulaC16H18Cl2N2
Molecular Weight309.24 g/mol
Exact Mass308.08
IUPAC Name4-[1-amino-2-(3,4-dichlorophenyl)ethyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(N)Cc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H18Cl2N2/c1-20(2)13-6-4-12(5-7-13)16(19)10-11-3-8-14(17)15(18)9-11/h3-9,16H,10,19H2,1-2H3
InChIKeyGXIMESYHIQAFHB-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

1-(4-tert-butylphenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 63415791
4-[1-amino-2-(2,4-dichlorophenyl)ethyl]-N,N-dimethylaniline
CID 105132810
1-(4-bromo-3-chlorophenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 81296108
4-[1-amino-2-(2-chloro-4-methylphenyl)ethyl]-N,N-dimethylaniline
CID 106867526
3-[1-amino-2-(3-chloro-4-fluorophenyl)ethyl]-N,N-dimethylaniline
CID 103043235
1-(3-chlorophenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 55139269
1-(3,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)propan-2-amine
CID 63415619
4-[1-amino-2-(furan-3-yl)ethyl]-N,N-dimethylaniline
CID 105177745
2-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 63046819
3-[1-amino-3-(3,4-dichlorophenyl)propan-2-yl]-N,N-dimethylaniline
CID 82140058
2-(3-chloro-4-fluorophenyl)-1-(4-methylphenyl)ethanamine
CID 103039768
2-(3-chloro-4-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995842

Frequently Asked Questions

What is the IUPAC name of 4-[1-amino-2-(3,4-dichlorophenyl)ethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[1-amino-2-(3,4-dichlorophenyl)ethyl]-N,N-dimethylaniline (CID 105136553) is 4-[1-amino-2-(3,4-dichlorophenyl)ethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[1-amino-2-(3,4-dichlorophenyl)ethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[1-amino-2-(3,4-dichlorophenyl)ethyl]-N,N-dimethylaniline is CN(C)c1ccc(C(N)Cc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 4-[1-amino-2-(3,4-dichlorophenyl)ethyl]-N,N-dimethylaniline?
The InChIKey is GXIMESYHIQAFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2/c1-20(2)13-6-4-12(5-7-13)16(19)10-11-3-8-14(17)15(18)9-11/h3-9,16H,10,19H2,1-2H3.
What are the key properties of 4-[1-amino-2-(3,4-dichlorophenyl)ethyl]-N,N-dimethylaniline?
4-[1-amino-2-(3,4-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-(3,4-dichlorophenyl)ethyl]-N,N-dimethylaniline is sourced from PubChem (CID 105136553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).