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

C13H20ClNO2 — CID 117068187

IUPACN-[2-(2-ethoxyphenoxy)ethyl]cyclopropanamine;hydrochloride
SMILESCCOc1ccccc1OCCNC1CC1.Cl
InChIInChI=1S/C13H19NO2.ClH/c1-2-15-12-5-3-4-6-13(12)16-10-9-14-11-7-8-11;/h3-6,11,14H,2,7-10H2,1H3;1H
InChIKeyJJLBKCAUTNRIBP-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.64
Rot. Bonds7

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

N-[2-(2-ethoxyphenoxy)ethyl]cyclopropanamine;hydrochloride (PubChem CID 117068187) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is N-[2-(2-ethoxyphenoxy)ethyl]cyclopropanamine;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-ethoxyphenoxy)ethyl]cyclopropanamine;hydrochloride
PubChem CID117068187
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC NameN-[2-(2-ethoxyphenoxy)ethyl]cyclopropanamine;hydrochloride
SMILESCCOc1ccccc1OCCNC1CC1.Cl
InChIInChI=1S/C13H19NO2.ClH/c1-2-15-12-5-3-4-6-13(12)16-10-9-14-11-7-8-11;/h3-6,11,14H,2,7-10H2,1H3;1H
InChIKeyJJLBKCAUTNRIBP-UHFFFAOYSA-N
XLogP2.64
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.64
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

N-[2-(2-ethylphenoxy)ethyl]cyclopropanamine
CID 43364345
N-[3-(2-propoxyphenoxy)propyl]cyclohexanamine
CID 62573100
N-[2-(2-methylphenoxy)ethyl]cycloheptanamine
CID 60688107
N-[2-(2-bromophenoxy)ethyl]-4-methylcyclohexan-1-amine
CID 55093327
N-[2-(2,6-dimethoxyphenoxy)ethyl]cyclopropanamine
CID 29015300
3-methyl-N-[2-(2-propoxyphenoxy)ethyl]cyclohexan-1-amine
CID 62571085
4-[[2-(2-ethoxyphenoxy)ethylamino]methyl]cyclohexan-1-ol
CID 106133459
N-[2-(2-methylsulfanylphenoxy)ethyl]cyclohexanamine
CID 63649255
N-[3-(2-propoxyphenyl)butyl]cyclopropanamine
CID 113438607
N-[(2-ethoxyphenyl)methyl]cyclohexanamine;hydrochloride
CID 6460007
N-[2-(3-ethoxyphenoxy)ethyl]-4-methylcyclohexan-1-amine
CID 62584366
2-[2-(2-ethoxyphenoxy)ethyl]-1,1-dimethylhydrazine
CID 83015100

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethoxyphenoxy)ethyl]cyclopropanamine;hydrochloride?
The IUPAC name of N-[2-(2-ethoxyphenoxy)ethyl]cyclopropanamine;hydrochloride (CID 117068187) is N-[2-(2-ethoxyphenoxy)ethyl]cyclopropanamine;hydrochloride.
What is the SMILES notation for N-[2-(2-ethoxyphenoxy)ethyl]cyclopropanamine;hydrochloride?
The canonical SMILES for N-[2-(2-ethoxyphenoxy)ethyl]cyclopropanamine;hydrochloride is CCOc1ccccc1OCCNC1CC1.Cl.
What is the InChIKey of N-[2-(2-ethoxyphenoxy)ethyl]cyclopropanamine;hydrochloride?
The InChIKey is JJLBKCAUTNRIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2.ClH/c1-2-15-12-5-3-4-6-13(12)16-10-9-14-11-7-8-11;/h3-6,11,14H,2,7-10H2,1H3;1H.
What are the key properties of N-[2-(2-ethoxyphenoxy)ethyl]cyclopropanamine;hydrochloride?
N-[2-(2-ethoxyphenoxy)ethyl]cyclopropanamine;hydrochloride has a molecular weight of 257.76 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethoxyphenoxy)ethyl]cyclopropanamine;hydrochloride is sourced from PubChem (CID 117068187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).