3-(2,4-dichlorophenoxy)-N,N-dimethylpropan-1-amine

C11H15Cl2NO — CID 5262075

IUPAC3-(2,4-dichlorophenoxy)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H15Cl2NO/c1-14(2)6-3-7-15-11-5-4-9(12)8-10(11)13/h4-5,8H,3,6-7H2,1-2H3
InChIKeyHXJUQTVEOIFVKU-UHFFFAOYSA-N
MW248.15 g/mol
LogP3.32
Rot. Bonds5

About 3-(2,4-dichlorophenoxy)-N,N-dimethylpropan-1-amine

3-(2,4-dichlorophenoxy)-N,N-dimethylpropan-1-amine (PubChem CID 5262075) has the molecular formula C11H15Cl2NO and a molecular weight of 248.15 g/mol. Its IUPAC name is 3-(2,4-dichlorophenoxy)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(2,4-dichlorophenoxy)-N,N-dimethylpropan-1-amine
PubChem CID5262075
Molecular FormulaC11H15Cl2NO
Molecular Weight248.15 g/mol
Exact Mass247.05
IUPAC Name3-(2,4-dichlorophenoxy)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H15Cl2NO/c1-14(2)6-3-7-15-11-5-4-9(12)8-10(11)13/h4-5,8H,3,6-7H2,1-2H3
InChIKeyHXJUQTVEOIFVKU-UHFFFAOYSA-N
XLogP3.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2,4-dichlorophenoxy)-N-methyl-N-[(E)-prop-1-enyl]propan-1-amine
CID 5327102
N'-[2-(2,4-dichlorophenoxy)ethyl]-N'-methylethane-1,2-diamine
CID 62688620
6-(2,4-dichlorophenoxy)hexan-1-amine
CID 21467390
2,4-dichloro-1-[3-(4-methoxyphenoxy)propoxy]benzene
CID 2252113
3-(2,4-dichlorophenoxy)-N-methylpropanehydrazide
CID 116820473
tris[2-(2,4-dichlorophenoxy)ethyl]azanium
CID 2317161
4-N-[2-(2,4-dichlorophenoxy)ethyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121912
4-[2-[2-(2,4-dichlorophenyl)ethyl]phenoxy]-N,N-dimethylbutan-1-amine
CID 20545010
3-[4-(2,4-dichlorophenoxy)phenyl]-N,N-dimethylpropan-1-amine
CID 170865611
3-(2,4-dichlorophenyl)-N,N-dimethylpropan-1-amine
CID 69275794
1-[2-(2,4-dichlorophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol
CID 62014390
ethyl 3-[2-(2,4-dichlorophenoxy)ethyl-methylamino]propanoate
CID 62012022

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenoxy)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(2,4-dichlorophenoxy)-N,N-dimethylpropan-1-amine (CID 5262075) is 3-(2,4-dichlorophenoxy)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(2,4-dichlorophenoxy)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(2,4-dichlorophenoxy)-N,N-dimethylpropan-1-amine is CN(C)CCCOc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorophenoxy)-N,N-dimethylpropan-1-amine?
The InChIKey is HXJUQTVEOIFVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO/c1-14(2)6-3-7-15-11-5-4-9(12)8-10(11)13/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of 3-(2,4-dichlorophenoxy)-N,N-dimethylpropan-1-amine?
3-(2,4-dichlorophenoxy)-N,N-dimethylpropan-1-amine has a molecular weight of 248.15 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenoxy)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 5262075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).