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

C17H19Cl2N — CID 43765643

IUPACN-[1-(3,4-dichlorophenyl)propyl]-2,3-dimethylaniline
SMILESCCC(Nc1cccc(C)c1C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H19Cl2N/c1-4-16(13-8-9-14(18)15(19)10-13)20-17-7-5-6-11(2)12(17)3/h5-10,16,20H,4H2,1-3H3
InChIKeyGDPMFXSIBUIKOJ-UHFFFAOYSA-N
MW308.25 g/mol
LogP6.17
Rot. Bonds4

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

N-[1-(3,4-dichlorophenyl)propyl]-2,3-dimethylaniline (PubChem CID 43765643) has the molecular formula C17H19Cl2N and a molecular weight of 308.25 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)propyl]-2,3-dimethylaniline.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)propyl]-2,3-dimethylaniline
PubChem CID43765643
Molecular FormulaC17H19Cl2N
Molecular Weight308.25 g/mol
Exact Mass307.09
IUPAC NameN-[1-(3,4-dichlorophenyl)propyl]-2,3-dimethylaniline
SMILESCCC(Nc1cccc(C)c1C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H19Cl2N/c1-4-16(13-8-9-14(18)15(19)10-13)20-17-7-5-6-11(2)12(17)3/h5-10,16,20H,4H2,1-3H3
InChIKeyGDPMFXSIBUIKOJ-UHFFFAOYSA-N
XLogP6.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.25
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-chlorophenyl)propyl]-2,3-dimethylaniline
CID 43097470
N-[1-(3,4-dichlorophenyl)propyl]-4-iodo-2-methylaniline
CID 63440708
N-[1-(3,4-dichlorophenyl)propyl]-2,1,3-benzoselenadiazol-4-amine
CID 43784851
N-[1-(3,4-dichlorophenyl)propyl]-4-methylaniline
CID 43765753
1-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 43486460
1-(3,4-dichlorophenyl)-N-propan-2-ylpropan-1-amine
CID 43756202
N-[1-(3,4-dichlorophenyl)propyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 107648399
2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)ethanol
CID 106818134
3-bromo-N-[1-(3-bromophenyl)propyl]-2-methylaniline
CID 107629905
N-[1-(3-bromophenyl)propyl]-2-chloro-5-methylaniline
CID 107630771
N-[1-(3,4-dichlorophenyl)propyl]-N',N'-dimethylethane-1,2-diamine
CID 43754801
N'-[1-(3,4-dichlorophenyl)propyl]propane-1,3-diamine
CID 60888195

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)propyl]-2,3-dimethylaniline?
The IUPAC name of N-[1-(3,4-dichlorophenyl)propyl]-2,3-dimethylaniline (CID 43765643) is N-[1-(3,4-dichlorophenyl)propyl]-2,3-dimethylaniline.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)propyl]-2,3-dimethylaniline?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)propyl]-2,3-dimethylaniline is CCC(Nc1cccc(C)c1C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)propyl]-2,3-dimethylaniline?
The InChIKey is GDPMFXSIBUIKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N/c1-4-16(13-8-9-14(18)15(19)10-13)20-17-7-5-6-11(2)12(17)3/h5-10,16,20H,4H2,1-3H3.
What are the key properties of N-[1-(3,4-dichlorophenyl)propyl]-2,3-dimethylaniline?
N-[1-(3,4-dichlorophenyl)propyl]-2,3-dimethylaniline has a molecular weight of 308.25 g/mol, XLogP of 6.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)propyl]-2,3-dimethylaniline is sourced from PubChem (CID 43765643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).