3-[3-amino-2-(2,6-dichlorophenyl)propyl]-N,N-dimethylaniline

C17H20Cl2N2 — CID 82141225

IUPAC3-[3-amino-2-(2,6-dichlorophenyl)propyl]-N,N-dimethylaniline
SMILESCN(C)c1cccc(CC(CN)c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C17H20Cl2N2/c1-21(2)14-6-3-5-12(10-14)9-13(11-20)17-15(18)7-4-8-16(17)19/h3-8,10,13H,9,11,20H2,1-2H3
InChIKeyQXAAVKAWECUWOC-UHFFFAOYSA-N
MW323.27 g/mol
LogP4.34
Rot. Bonds5

About 3-[3-amino-2-(2,6-dichlorophenyl)propyl]-N,N-dimethylaniline

3-[3-amino-2-(2,6-dichlorophenyl)propyl]-N,N-dimethylaniline (PubChem CID 82141225) has the molecular formula C17H20Cl2N2 and a molecular weight of 323.27 g/mol. Its IUPAC name is 3-[3-amino-2-(2,6-dichlorophenyl)propyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[3-amino-2-(2,6-dichlorophenyl)propyl]-N,N-dimethylaniline
PubChem CID82141225
Molecular FormulaC17H20Cl2N2
Molecular Weight323.27 g/mol
Exact Mass322.10
IUPAC Name3-[3-amino-2-(2,6-dichlorophenyl)propyl]-N,N-dimethylaniline
SMILESCN(C)c1cccc(CC(CN)c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C17H20Cl2N2/c1-21(2)14-6-3-5-12(10-14)9-13(11-20)17-15(18)7-4-8-16(17)19/h3-8,10,13H,9,11,20H2,1-2H3
InChIKeyQXAAVKAWECUWOC-UHFFFAOYSA-N
XLogP4.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-amino-3-(3,4-dichlorophenyl)propan-2-yl]-N,N-dimethylaniline
CID 82140058
3-(4-aminobutyl)-N,N-dimethylaniline
CID 117283311
(2S)-2-amino-3-[3-(dimethylamino)phenyl]propanoic acid;dihydrochloride
CID 22950701
[3-(dimethylamino)phenyl]methanethiol
CID 83792343
2-(2,6-dichlorophenyl)-3-(2,5-dimethoxyphenyl)propan-1-amine
CID 83975308
2,3-bis[3-(dimethylamino)phenyl]propanenitrile
CID 82141215
3-[1-amino-2-(3-chloro-4-fluorophenyl)ethyl]-N,N-dimethylaniline
CID 103043235
N,N-dimethylaniline;phenylmethanamine
CID 159620878
1-(2,6-dichlorophenyl)-N-[(3-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 43110178
1-(3-chlorophenyl)-3-[3-(dimethylamino)phenyl]propan-1-ol
CID 70524074
3-[1-amino-2-(2-chloro-6-fluorophenyl)ethyl]-N,N-dimethylaniline
CID 105105636
2-(2,3-dichlorophenyl)-3-(3,5-dimethylphenyl)propan-1-amine
CID 83975793

Frequently Asked Questions

What is the IUPAC name of 3-[3-amino-2-(2,6-dichlorophenyl)propyl]-N,N-dimethylaniline?
The IUPAC name of 3-[3-amino-2-(2,6-dichlorophenyl)propyl]-N,N-dimethylaniline (CID 82141225) is 3-[3-amino-2-(2,6-dichlorophenyl)propyl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[3-amino-2-(2,6-dichlorophenyl)propyl]-N,N-dimethylaniline?
The canonical SMILES for 3-[3-amino-2-(2,6-dichlorophenyl)propyl]-N,N-dimethylaniline is CN(C)c1cccc(CC(CN)c2c(Cl)cccc2Cl)c1.
What is the InChIKey of 3-[3-amino-2-(2,6-dichlorophenyl)propyl]-N,N-dimethylaniline?
The InChIKey is QXAAVKAWECUWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2/c1-21(2)14-6-3-5-12(10-14)9-13(11-20)17-15(18)7-4-8-16(17)19/h3-8,10,13H,9,11,20H2,1-2H3.
What are the key properties of 3-[3-amino-2-(2,6-dichlorophenyl)propyl]-N,N-dimethylaniline?
3-[3-amino-2-(2,6-dichlorophenyl)propyl]-N,N-dimethylaniline has a molecular weight of 323.27 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-amino-2-(2,6-dichlorophenyl)propyl]-N,N-dimethylaniline is sourced from PubChem (CID 82141225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).