3,5-dichloro-N,N-diethyl-4-propan-2-ylaniline

C13H19Cl2N — CID 170413770

IUPAC3,5-dichloro-N,N-diethyl-4-propan-2-ylaniline
SMILESCCN(CC)c1cc(Cl)c(C(C)C)c(Cl)c1
InChIInChI=1S/C13H19Cl2N/c1-5-16(6-2)10-7-11(14)13(9(3)4)12(15)8-10/h7-9H,5-6H2,1-4H3
InChIKeyAFDYYXVOVSVHJE-UHFFFAOYSA-N
MW260.21 g/mol
LogP4.96
Rot. Bonds4

About 3,5-dichloro-N,N-diethyl-4-propan-2-ylaniline

3,5-dichloro-N,N-diethyl-4-propan-2-ylaniline (PubChem CID 170413770) has the molecular formula C13H19Cl2N and a molecular weight of 260.21 g/mol. Its IUPAC name is 3,5-dichloro-N,N-diethyl-4-propan-2-ylaniline.

Molecular Properties

Compound Name3,5-dichloro-N,N-diethyl-4-propan-2-ylaniline
PubChem CID170413770
Molecular FormulaC13H19Cl2N
Molecular Weight260.21 g/mol
Exact Mass259.09
IUPAC Name3,5-dichloro-N,N-diethyl-4-propan-2-ylaniline
SMILESCCN(CC)c1cc(Cl)c(C(C)C)c(Cl)c1
InChIInChI=1S/C13H19Cl2N/c1-5-16(6-2)10-7-11(14)13(9(3)4)12(15)8-10/h7-9H,5-6H2,1-4H3
InChIKeyAFDYYXVOVSVHJE-UHFFFAOYSA-N
XLogP4.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-4-(2,6-dichlorostyryl)-N,N-dimethylaniline
CID 60141314
Phenethylamine, 2-chloro-4-dimethylamino-alpha-methyl-, dihydrochloride
CID 3043609
Fla 365
CID 72777
Phenethylamine, 2,6-dichloro-4-dimethylamino-alpha-methyl-, dihydrochloride
CID 72776
N2-(3-Chloro-4-methylphenyl)-N1,N1-diethyl-1,2-ethanediamine
CID 75648
Benzenamine, 4,4'-[(2-chlorophenyl)methylene]bis[N,N-dimethyl-
CID 170535
4-(2-Aminobutyl)-3-chloro-N,N-dimethylaniline--hydrogen chloride (1/2)
CID 3043629
1,2-Ethanediamine, N-(3-chlorophenyl)-N',N'-diethyl-N-(4-(1,1-dimethylethyl)phenyl)-, monohydrochloride
CID 3051648
Phenethylamine, 2-chloro-alpha,alpha-dimethyl-4-dimethylamino-, dihydrochloride, hydrate
CID 3057518
4,4'-((2,4-Dichlorophenyl)methylene)bis(N,N-dimethylaniline)
CID 2825070
N-[3-chloro-4-(1H-inden-1-ylidenemethyl)phenyl]-N,N-dimethylamine
CID 6165561
3-chloro-4-methyl-N-propylaniline hydrochloride
CID 137951276

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N,N-diethyl-4-propan-2-ylaniline?
The IUPAC name of 3,5-dichloro-N,N-diethyl-4-propan-2-ylaniline (CID 170413770) is 3,5-dichloro-N,N-diethyl-4-propan-2-ylaniline.
What is the SMILES notation for 3,5-dichloro-N,N-diethyl-4-propan-2-ylaniline?
The canonical SMILES for 3,5-dichloro-N,N-diethyl-4-propan-2-ylaniline is CCN(CC)c1cc(Cl)c(C(C)C)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-N,N-diethyl-4-propan-2-ylaniline?
The InChIKey is AFDYYXVOVSVHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N/c1-5-16(6-2)10-7-11(14)13(9(3)4)12(15)8-10/h7-9H,5-6H2,1-4H3.
What are the key properties of 3,5-dichloro-N,N-diethyl-4-propan-2-ylaniline?
3,5-dichloro-N,N-diethyl-4-propan-2-ylaniline has a molecular weight of 260.21 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N,N-diethyl-4-propan-2-ylaniline is sourced from PubChem (CID 170413770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).