1-(2,6-dichlorophenyl)-N-methyl-3-propan-2-yloxypropan-2-amine

C13H19Cl2NO — CID 79574139

IUPAC1-(2,6-dichlorophenyl)-N-methyl-3-propan-2-yloxypropan-2-amine
SMILESCNC(COC(C)C)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C13H19Cl2NO/c1-9(2)17-8-10(16-3)7-11-12(14)5-4-6-13(11)15/h4-6,9-10,16H,7-8H2,1-3H3
InChIKeyKDXIJHLFAAOIMP-UHFFFAOYSA-N
MW276.21 g/mol
LogP3.55
Rot. Bonds6

About 1-(2,6-dichlorophenyl)-N-methyl-3-propan-2-yloxypropan-2-amine

1-(2,6-dichlorophenyl)-N-methyl-3-propan-2-yloxypropan-2-amine (PubChem CID 79574139) has the molecular formula C13H19Cl2NO and a molecular weight of 276.21 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-N-methyl-3-propan-2-yloxypropan-2-amine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-N-methyl-3-propan-2-yloxypropan-2-amine
PubChem CID79574139
Molecular FormulaC13H19Cl2NO
Molecular Weight276.21 g/mol
Exact Mass275.08
IUPAC Name1-(2,6-dichlorophenyl)-N-methyl-3-propan-2-yloxypropan-2-amine
SMILESCNC(COC(C)C)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C13H19Cl2NO/c1-9(2)17-8-10(16-3)7-11-12(14)5-4-6-13(11)15/h4-6,9-10,16H,7-8H2,1-3H3
InChIKeyKDXIJHLFAAOIMP-UHFFFAOYSA-N
XLogP3.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dichlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214865
1-(2,6-dichlorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 62692778
1-(4-ethylphenyl)-N-methyl-3-propan-2-yloxypropan-2-amine
CID 105101340
1-(2-chloro-6-fluorophenyl)-5-methoxy-N,4-dimethylpentan-2-amine
CID 105106068
N-methyl-1-propan-2-yloxy-3-pyridin-4-ylpropan-2-amine
CID 79573917
1-(2-chloro-3-fluorophenyl)-3-(2,6-dichlorophenyl)-N-methylpropan-2-amine
CID 115983713
1-(2,6-dichlorophenyl)-N-methyl-3-thiophen-3-ylpropan-2-amine
CID 62604150
1-(2,6-dichlorophenyl)-3-(3,4-dimethylphenyl)-N-methylpropan-2-amine
CID 63415067
1-(2,6-dichlorophenyl)-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine
CID 66065012
3-[(2,6-dichlorophenyl)methyl]-N-methylpentan-2-amine
CID 61000700
[1-(2,6-difluorophenyl)-3-propan-2-yloxypropan-2-yl]hydrazine
CID 105323657
N-methyl-1-propan-2-yloxy-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 105013128

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-N-methyl-3-propan-2-yloxypropan-2-amine?
The IUPAC name of 1-(2,6-dichlorophenyl)-N-methyl-3-propan-2-yloxypropan-2-amine (CID 79574139) is 1-(2,6-dichlorophenyl)-N-methyl-3-propan-2-yloxypropan-2-amine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-N-methyl-3-propan-2-yloxypropan-2-amine?
The canonical SMILES for 1-(2,6-dichlorophenyl)-N-methyl-3-propan-2-yloxypropan-2-amine is CNC(COC(C)C)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-N-methyl-3-propan-2-yloxypropan-2-amine?
The InChIKey is KDXIJHLFAAOIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO/c1-9(2)17-8-10(16-3)7-11-12(14)5-4-6-13(11)15/h4-6,9-10,16H,7-8H2,1-3H3.
What are the key properties of 1-(2,6-dichlorophenyl)-N-methyl-3-propan-2-yloxypropan-2-amine?
1-(2,6-dichlorophenyl)-N-methyl-3-propan-2-yloxypropan-2-amine has a molecular weight of 276.21 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-N-methyl-3-propan-2-yloxypropan-2-amine is sourced from PubChem (CID 79574139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).