2-(2,3-dichlorophenoxy)-3-methoxy-N-propylpropan-1-amine

C13H19Cl2NO2 — CID 103228055

IUPAC2-(2,3-dichlorophenoxy)-3-methoxy-N-propylpropan-1-amine
SMILESCCCNCC(COC)Oc1cccc(Cl)c1Cl
InChIInChI=1S/C13H19Cl2NO2/c1-3-7-16-8-10(9-17-2)18-12-6-4-5-11(14)13(12)15/h4-6,10,16H,3,7-9H2,1-2H3
InChIKeyGMHNYNYQVNJFEK-UHFFFAOYSA-N
MW292.21 g/mol
LogP3.39
Rot. Bonds8

About 2-(2,3-dichlorophenoxy)-3-methoxy-N-propylpropan-1-amine

2-(2,3-dichlorophenoxy)-3-methoxy-N-propylpropan-1-amine (PubChem CID 103228055) has the molecular formula C13H19Cl2NO2 and a molecular weight of 292.21 g/mol. Its IUPAC name is 2-(2,3-dichlorophenoxy)-3-methoxy-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-(2,3-dichlorophenoxy)-3-methoxy-N-propylpropan-1-amine
PubChem CID103228055
Molecular FormulaC13H19Cl2NO2
Molecular Weight292.21 g/mol
Exact Mass291.08
IUPAC Name2-(2,3-dichlorophenoxy)-3-methoxy-N-propylpropan-1-amine
SMILESCCCNCC(COC)Oc1cccc(Cl)c1Cl
InChIInChI=1S/C13H19Cl2NO2/c1-3-7-16-8-10(9-17-2)18-12-6-4-5-11(14)13(12)15/h4-6,10,16H,3,7-9H2,1-2H3
InChIKeyGMHNYNYQVNJFEK-UHFFFAOYSA-N
XLogP3.39
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromo-2,5-dichlorophenoxy)-3-methoxy-N-propylpropan-1-amine
CID 107661120
3-methoxy-2-[(2-methyl-3-pyridinyl)oxy]-N-propylpropan-1-amine
CID 103228869
2-(2,3-dichlorophenoxy)-N-propan-2-ylbutan-1-amine
CID 62451787
2-(2-chloro-5-fluorophenoxy)-N-ethyl-3-methoxypropan-1-amine
CID 114264334
2-(2,3-dichlorophenoxy)-N-(2-methoxyethyl)propanamide
CID 46452752
N-[3-(2,3-dichlorophenoxy)propyl]butan-1-amine
CID 2248430
1,2-dichloro-3-[ethoxy(methoxy)methoxy]benzene
CID 173367803
N-butyl-4-(2,3-dichlorophenoxy)butan-1-amine
CID 2248800
2-[(2,3-dichlorophenyl)methyl]-3,3-dimethyl-N-propylbutan-1-amine
CID 107309806
2-(2-fluoro-3-methylphenoxy)-N-propylpentan-1-amine
CID 107661333
2-[(2,3-dichlorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine
CID 107309735
2-(2,3-dihydro-1H-inden-5-yloxy)-3-methoxy-N-propylpropan-1-amine
CID 103228424

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenoxy)-3-methoxy-N-propylpropan-1-amine?
The IUPAC name of 2-(2,3-dichlorophenoxy)-3-methoxy-N-propylpropan-1-amine (CID 103228055) is 2-(2,3-dichlorophenoxy)-3-methoxy-N-propylpropan-1-amine.
What is the SMILES notation for 2-(2,3-dichlorophenoxy)-3-methoxy-N-propylpropan-1-amine?
The canonical SMILES for 2-(2,3-dichlorophenoxy)-3-methoxy-N-propylpropan-1-amine is CCCNCC(COC)Oc1cccc(Cl)c1Cl.
What is the InChIKey of 2-(2,3-dichlorophenoxy)-3-methoxy-N-propylpropan-1-amine?
The InChIKey is GMHNYNYQVNJFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO2/c1-3-7-16-8-10(9-17-2)18-12-6-4-5-11(14)13(12)15/h4-6,10,16H,3,7-9H2,1-2H3.
What are the key properties of 2-(2,3-dichlorophenoxy)-3-methoxy-N-propylpropan-1-amine?
2-(2,3-dichlorophenoxy)-3-methoxy-N-propylpropan-1-amine has a molecular weight of 292.21 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenoxy)-3-methoxy-N-propylpropan-1-amine is sourced from PubChem (CID 103228055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).