1-(2,6-dichlorophenoxy)-N,N-dimethylpropan-2-amine

C11H15Cl2NO — CID 154158720

IUPAC1-(2,6-dichlorophenoxy)-N,N-dimethylpropan-2-amine
SMILESCC(COc1c(Cl)cccc1Cl)N(C)C
InChIInChI=1S/C11H15Cl2NO/c1-8(14(2)3)7-15-11-9(12)5-4-6-10(11)13/h4-6,8H,7H2,1-3H3
InChIKeyCIPFEOHHWUVDCY-UHFFFAOYSA-N
MW248.15 g/mol
LogP3.32
Rot. Bonds4

About 1-(2,6-dichlorophenoxy)-N,N-dimethylpropan-2-amine

1-(2,6-dichlorophenoxy)-N,N-dimethylpropan-2-amine (PubChem CID 154158720) has the molecular formula C11H15Cl2NO and a molecular weight of 248.15 g/mol. Its IUPAC name is 1-(2,6-dichlorophenoxy)-N,N-dimethylpropan-2-amine.

Molecular Properties

Compound Name1-(2,6-dichlorophenoxy)-N,N-dimethylpropan-2-amine
PubChem CID154158720
Molecular FormulaC11H15Cl2NO
Molecular Weight248.15 g/mol
Exact Mass247.05
IUPAC Name1-(2,6-dichlorophenoxy)-N,N-dimethylpropan-2-amine
SMILESCC(COc1c(Cl)cccc1Cl)N(C)C
InChIInChI=1S/C11H15Cl2NO/c1-8(14(2)3)7-15-11-9(12)5-4-6-10(11)13/h4-6,8H,7H2,1-3H3
InChIKeyCIPFEOHHWUVDCY-UHFFFAOYSA-N
XLogP3.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dichlorophenoxy)propan-2-ol
CID 65277723
1,3-dichloro-2-(2,2-diethoxyethoxy)benzene
CID 2781949
1,3-dichloro-2-(2,2-dimethoxyethoxy)benzene
CID 66224051
1-(2,6-dichlorophenoxy)propan-2-ylhydrazine
CID 82291003
1-(2,6-dichlorophenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol
CID 111107927
2-[2-(bromomethyl)-3-methylbutoxy]-1,3-dichlorobenzene
CID 65011768
1-[2-(2,6-dichlorophenoxy)ethyl-methylamino]propan-2-ol
CID 62334662
1-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-methylamino]-2-methylpropan-2-ol
CID 111336261
1-(2,6-dichlorophenoxy)-3-(propylamino)propan-2-ol
CID 60634254
N-[1-(2,6-dichlorophenoxy)ethyl]-N-ethylaniline
CID 70632999
2-(2,6-dichlorophenoxy)-N,N-dimethylacetamide
CID 78765476
2-but-2-ynoxy-1,3-dichlorobenzene
CID 130635174

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenoxy)-N,N-dimethylpropan-2-amine?
The IUPAC name of 1-(2,6-dichlorophenoxy)-N,N-dimethylpropan-2-amine (CID 154158720) is 1-(2,6-dichlorophenoxy)-N,N-dimethylpropan-2-amine.
What is the SMILES notation for 1-(2,6-dichlorophenoxy)-N,N-dimethylpropan-2-amine?
The canonical SMILES for 1-(2,6-dichlorophenoxy)-N,N-dimethylpropan-2-amine is CC(COc1c(Cl)cccc1Cl)N(C)C.
What is the InChIKey of 1-(2,6-dichlorophenoxy)-N,N-dimethylpropan-2-amine?
The InChIKey is CIPFEOHHWUVDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO/c1-8(14(2)3)7-15-11-9(12)5-4-6-10(11)13/h4-6,8H,7H2,1-3H3.
What are the key properties of 1-(2,6-dichlorophenoxy)-N,N-dimethylpropan-2-amine?
1-(2,6-dichlorophenoxy)-N,N-dimethylpropan-2-amine has a molecular weight of 248.15 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenoxy)-N,N-dimethylpropan-2-amine is sourced from PubChem (CID 154158720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).