3-cyclopropyl-3-(2,3-dichlorophenoxy)-N-methylpropan-1-amine

C13H17Cl2NO — CID 11507340

IUPAC3-cyclopropyl-3-(2,3-dichlorophenoxy)-N-methylpropan-1-amine
SMILESCNCCC(Oc1cccc(Cl)c1Cl)C1CC1
InChIInChI=1S/C13H17Cl2NO/c1-16-8-7-11(9-5-6-9)17-12-4-2-3-10(14)13(12)15/h2-4,9,11,16H,5-8H2,1H3
InChIKeyWJECMYQUJAQSDY-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.76
Rot. Bonds6

About 3-cyclopropyl-3-(2,3-dichlorophenoxy)-N-methylpropan-1-amine

3-cyclopropyl-3-(2,3-dichlorophenoxy)-N-methylpropan-1-amine (PubChem CID 11507340) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is 3-cyclopropyl-3-(2,3-dichlorophenoxy)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-3-(2,3-dichlorophenoxy)-N-methylpropan-1-amine
PubChem CID11507340
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name3-cyclopropyl-3-(2,3-dichlorophenoxy)-N-methylpropan-1-amine
SMILESCNCCC(Oc1cccc(Cl)c1Cl)C1CC1
InChIInChI=1S/C13H17Cl2NO/c1-16-8-7-11(9-5-6-9)17-12-4-2-3-10(14)13(12)15/h2-4,9,11,16H,5-8H2,1H3
InChIKeyWJECMYQUJAQSDY-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(2,3-dichlorophenoxy)-N-methylpropan-1-amine?
The IUPAC name of 3-cyclopropyl-3-(2,3-dichlorophenoxy)-N-methylpropan-1-amine (CID 11507340) is 3-cyclopropyl-3-(2,3-dichlorophenoxy)-N-methylpropan-1-amine.
What is the SMILES notation for 3-cyclopropyl-3-(2,3-dichlorophenoxy)-N-methylpropan-1-amine?
The canonical SMILES for 3-cyclopropyl-3-(2,3-dichlorophenoxy)-N-methylpropan-1-amine is CNCCC(Oc1cccc(Cl)c1Cl)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-(2,3-dichlorophenoxy)-N-methylpropan-1-amine?
The InChIKey is WJECMYQUJAQSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-16-8-7-11(9-5-6-9)17-12-4-2-3-10(14)13(12)15/h2-4,9,11,16H,5-8H2,1H3.
What are the key properties of 3-cyclopropyl-3-(2,3-dichlorophenoxy)-N-methylpropan-1-amine?
3-cyclopropyl-3-(2,3-dichlorophenoxy)-N-methylpropan-1-amine has a molecular weight of 274.19 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(2,3-dichlorophenoxy)-N-methylpropan-1-amine is sourced from PubChem (CID 11507340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).