3-(2,6-dichlorophenoxy)-N-ethylpropan-1-amine

C11H15Cl2NO — CID 60800210

IUPAC3-(2,6-dichlorophenoxy)-N-ethylpropan-1-amine
SMILESCCNCCCOc1c(Cl)cccc1Cl
InChIInChI=1S/C11H15Cl2NO/c1-2-14-7-4-8-15-11-9(12)5-3-6-10(11)13/h3,5-6,14H,2,4,7-8H2,1H3
InChIKeyGXMUAYGJIGPBAM-UHFFFAOYSA-N
MW248.15 g/mol
LogP3.37
Rot. Bonds6

About 3-(2,6-dichlorophenoxy)-N-ethylpropan-1-amine

3-(2,6-dichlorophenoxy)-N-ethylpropan-1-amine (PubChem CID 60800210) has the molecular formula C11H15Cl2NO and a molecular weight of 248.15 g/mol. Its IUPAC name is 3-(2,6-dichlorophenoxy)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name3-(2,6-dichlorophenoxy)-N-ethylpropan-1-amine
PubChem CID60800210
Molecular FormulaC11H15Cl2NO
Molecular Weight248.15 g/mol
Exact Mass247.05
IUPAC Name3-(2,6-dichlorophenoxy)-N-ethylpropan-1-amine
SMILESCCNCCCOc1c(Cl)cccc1Cl
InChIInChI=1S/C11H15Cl2NO/c1-2-14-7-4-8-15-11-9(12)5-3-6-10(11)13/h3,5-6,14H,2,4,7-8H2,1H3
InChIKeyGXMUAYGJIGPBAM-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2,6-dichlorophenoxy)-N-ethylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2,6-dichlorophenoxy)ethyl]-2-ethoxyethanamine
CID 62599266
5-(2,3-dichlorophenoxy)-N-ethylpentan-1-amine
CID 55077390
2-(2,6-dichlorophenoxy)ethylhydrazine
CID 3798878
3-(2-chloro-6-methylphenoxy)-N-prop-2-enylpropan-1-amine
CID 4154911
N-[2-(2,6-dichlorophenoxy)ethyl]-2,2,2-trifluoroethanamine
CID 60690736
2-(4-chloronaphthalen-1-yl)oxy-N-ethylethanamine;hydrochloride
CID 6458435
3-(2-bromo-6-methoxyphenoxy)-N-ethylpropan-1-amine
CID 83140817
1,3-dichloro-2-(6-chlorohexoxy)benzene
CID 63499301
N-[[2-(2-butoxyethoxy)-3-chlorophenyl]methyl]ethanamine
CID 112609238
3-(3-ethoxyphenoxy)-N-ethylpropan-1-amine
CID 62337478
N-[3-(2,3-dichlorophenoxy)propyl]butan-1-amine
CID 2248430
N-[[3-chloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]ethanamine
CID 103409133

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenoxy)-N-ethylpropan-1-amine?
The IUPAC name of 3-(2,6-dichlorophenoxy)-N-ethylpropan-1-amine (CID 60800210) is 3-(2,6-dichlorophenoxy)-N-ethylpropan-1-amine.
What is the SMILES notation for 3-(2,6-dichlorophenoxy)-N-ethylpropan-1-amine?
The canonical SMILES for 3-(2,6-dichlorophenoxy)-N-ethylpropan-1-amine is CCNCCCOc1c(Cl)cccc1Cl.
What is the InChIKey of 3-(2,6-dichlorophenoxy)-N-ethylpropan-1-amine?
The InChIKey is GXMUAYGJIGPBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO/c1-2-14-7-4-8-15-11-9(12)5-3-6-10(11)13/h3,5-6,14H,2,4,7-8H2,1H3.
What are the key properties of 3-(2,6-dichlorophenoxy)-N-ethylpropan-1-amine?
3-(2,6-dichlorophenoxy)-N-ethylpropan-1-amine has a molecular weight of 248.15 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenoxy)-N-ethylpropan-1-amine is sourced from PubChem (CID 60800210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).