N-[2-(2-chlorophenoxy)ethyl]cyclopropanamine;hydrochloride

C11H15Cl2NO — CID 21485

IUPACN-[2-(2-chlorophenoxy)ethyl]cyclopropanamine;hydrochloride
SMILESCl.Clc1ccccc1OCCNC1CC1
InChIInChI=1S/C11H14ClNO.ClH/c12-10-3-1-2-4-11(10)14-8-7-13-9-5-6-9;/h1-4,9,13H,5-8H2;1H
InChIKeyIYBNXXLIJPVZSQ-UHFFFAOYSA-N
MW248.15 g/mol
LogP2.89
Rot. Bonds5

About N-[2-(2-chlorophenoxy)ethyl]cyclopropanamine;hydrochloride

N-[2-(2-chlorophenoxy)ethyl]cyclopropanamine;hydrochloride (PubChem CID 21485) has the molecular formula C11H15Cl2NO and a molecular weight of 248.15 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)ethyl]cyclopropanamine;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)ethyl]cyclopropanamine;hydrochloride
PubChem CID21485
Molecular FormulaC11H15Cl2NO
Molecular Weight248.15 g/mol
Exact Mass247.05
IUPAC NameN-[2-(2-chlorophenoxy)ethyl]cyclopropanamine;hydrochloride
SMILESCl.Clc1ccccc1OCCNC1CC1
InChIInChI=1S/C11H14ClNO.ClH/c12-10-3-1-2-4-11(10)14-8-7-13-9-5-6-9;/h1-4,9,13H,5-8H2;1H
InChIKeyIYBNXXLIJPVZSQ-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenoxy)ethyl]cyclopropanamine;hydrochloride?
The IUPAC name of N-[2-(2-chlorophenoxy)ethyl]cyclopropanamine;hydrochloride (CID 21485) is N-[2-(2-chlorophenoxy)ethyl]cyclopropanamine;hydrochloride.
What is the SMILES notation for N-[2-(2-chlorophenoxy)ethyl]cyclopropanamine;hydrochloride?
The canonical SMILES for N-[2-(2-chlorophenoxy)ethyl]cyclopropanamine;hydrochloride is Cl.Clc1ccccc1OCCNC1CC1.
What is the InChIKey of N-[2-(2-chlorophenoxy)ethyl]cyclopropanamine;hydrochloride?
The InChIKey is IYBNXXLIJPVZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO.ClH/c12-10-3-1-2-4-11(10)14-8-7-13-9-5-6-9;/h1-4,9,13H,5-8H2;1H.
What are the key properties of N-[2-(2-chlorophenoxy)ethyl]cyclopropanamine;hydrochloride?
N-[2-(2-chlorophenoxy)ethyl]cyclopropanamine;hydrochloride has a molecular weight of 248.15 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)ethyl]cyclopropanamine;hydrochloride is sourced from PubChem (CID 21485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).