2-[1-[(2,5-dichlorophenoxy)methyl]cyclopropyl]ethanamine

C12H15Cl2NO — CID 65498164

IUPAC2-[1-[(2,5-dichlorophenoxy)methyl]cyclopropyl]ethanamine
SMILESNCCC1(COc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C12H15Cl2NO/c13-9-1-2-10(14)11(7-9)16-8-12(3-4-12)5-6-15/h1-2,7H,3-6,8,15H2
InChIKeyMXHOSMWWKBFEGA-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.50
Rot. Bonds5

About 2-[1-[(2,5-dichlorophenoxy)methyl]cyclopropyl]ethanamine

2-[1-[(2,5-dichlorophenoxy)methyl]cyclopropyl]ethanamine (PubChem CID 65498164) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is 2-[1-[(2,5-dichlorophenoxy)methyl]cyclopropyl]ethanamine.

Molecular Properties

Compound Name2-[1-[(2,5-dichlorophenoxy)methyl]cyclopropyl]ethanamine
PubChem CID65498164
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name2-[1-[(2,5-dichlorophenoxy)methyl]cyclopropyl]ethanamine
SMILESNCCC1(COc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C12H15Cl2NO/c13-9-1-2-10(14)11(7-9)16-8-12(3-4-12)5-6-15/h1-2,7H,3-6,8,15H2
InChIKeyMXHOSMWWKBFEGA-UHFFFAOYSA-N
XLogP3.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,5-dichlorophenoxy)methyl]cyclopropyl]ethanamine?
The IUPAC name of 2-[1-[(2,5-dichlorophenoxy)methyl]cyclopropyl]ethanamine (CID 65498164) is 2-[1-[(2,5-dichlorophenoxy)methyl]cyclopropyl]ethanamine.
What is the SMILES notation for 2-[1-[(2,5-dichlorophenoxy)methyl]cyclopropyl]ethanamine?
The canonical SMILES for 2-[1-[(2,5-dichlorophenoxy)methyl]cyclopropyl]ethanamine is NCCC1(COc2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 2-[1-[(2,5-dichlorophenoxy)methyl]cyclopropyl]ethanamine?
The InChIKey is MXHOSMWWKBFEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c13-9-1-2-10(14)11(7-9)16-8-12(3-4-12)5-6-15/h1-2,7H,3-6,8,15H2.
What are the key properties of 2-[1-[(2,5-dichlorophenoxy)methyl]cyclopropyl]ethanamine?
2-[1-[(2,5-dichlorophenoxy)methyl]cyclopropyl]ethanamine has a molecular weight of 260.16 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,5-dichlorophenoxy)methyl]cyclopropyl]ethanamine is sourced from PubChem (CID 65498164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).