cyclopropyl-(2,3-dichloro-6-prop-2-enoxyphenyl)methanamine

C13H15Cl2NO — CID 122442298

IUPACcyclopropyl-(2,3-dichloro-6-prop-2-enoxyphenyl)methanamine
SMILESC=CCOc1ccc(Cl)c(Cl)c1C(N)C1CC1
InChIInChI=1S/C13H15Cl2NO/c1-2-7-17-10-6-5-9(14)12(15)11(10)13(16)8-3-4-8/h2,5-6,8,13H,1,3-4,7,16H2
InChIKeyGWWPHFBBCDSPTE-UHFFFAOYSA-N
MW272.18 g/mol
LogP3.97
Rot. Bonds5

About cyclopropyl-(2,3-dichloro-6-prop-2-enoxyphenyl)methanamine

cyclopropyl-(2,3-dichloro-6-prop-2-enoxyphenyl)methanamine (PubChem CID 122442298) has the molecular formula C13H15Cl2NO and a molecular weight of 272.18 g/mol. Its IUPAC name is cyclopropyl-(2,3-dichloro-6-prop-2-enoxyphenyl)methanamine.

Molecular Properties

Compound Namecyclopropyl-(2,3-dichloro-6-prop-2-enoxyphenyl)methanamine
PubChem CID122442298
Molecular FormulaC13H15Cl2NO
Molecular Weight272.18 g/mol
Exact Mass271.05
IUPAC Namecyclopropyl-(2,3-dichloro-6-prop-2-enoxyphenyl)methanamine
SMILESC=CCOc1ccc(Cl)c(Cl)c1C(N)C1CC1
InChIInChI=1S/C13H15Cl2NO/c1-2-7-17-10-6-5-9(14)12(15)11(10)13(16)8-3-4-8/h2,5-6,8,13H,1,3-4,7,16H2
InChIKeyGWWPHFBBCDSPTE-UHFFFAOYSA-N
XLogP3.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.18
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(2,3-dichloro-6-prop-2-enoxyphenyl)methanamine?
The IUPAC name of cyclopropyl-(2,3-dichloro-6-prop-2-enoxyphenyl)methanamine (CID 122442298) is cyclopropyl-(2,3-dichloro-6-prop-2-enoxyphenyl)methanamine.
What is the SMILES notation for cyclopropyl-(2,3-dichloro-6-prop-2-enoxyphenyl)methanamine?
The canonical SMILES for cyclopropyl-(2,3-dichloro-6-prop-2-enoxyphenyl)methanamine is C=CCOc1ccc(Cl)c(Cl)c1C(N)C1CC1.
What is the InChIKey of cyclopropyl-(2,3-dichloro-6-prop-2-enoxyphenyl)methanamine?
The InChIKey is GWWPHFBBCDSPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO/c1-2-7-17-10-6-5-9(14)12(15)11(10)13(16)8-3-4-8/h2,5-6,8,13H,1,3-4,7,16H2.
What are the key properties of cyclopropyl-(2,3-dichloro-6-prop-2-enoxyphenyl)methanamine?
cyclopropyl-(2,3-dichloro-6-prop-2-enoxyphenyl)methanamine has a molecular weight of 272.18 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(2,3-dichloro-6-prop-2-enoxyphenyl)methanamine is sourced from PubChem (CID 122442298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).