N-[2-(2,6-dimethoxyphenoxy)ethyl]cyclopropanamine

C13H19NO3 — CID 29015300

IUPACN-[2-(2,6-dimethoxyphenoxy)ethyl]cyclopropanamine
SMILESCOc1cccc(OC)c1OCCNC1CC1
InChIInChI=1S/C13H19NO3/c1-15-11-4-3-5-12(16-2)13(11)17-9-8-14-10-6-7-10/h3-5,10,14H,6-9H2,1-2H3
InChIKeyXAPNRFSQNZZKRH-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.83
Rot. Bonds7

About N-[2-(2,6-dimethoxyphenoxy)ethyl]cyclopropanamine

N-[2-(2,6-dimethoxyphenoxy)ethyl]cyclopropanamine (PubChem CID 29015300) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[2-(2,6-dimethoxyphenoxy)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(2,6-dimethoxyphenoxy)ethyl]cyclopropanamine
PubChem CID29015300
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-[2-(2,6-dimethoxyphenoxy)ethyl]cyclopropanamine
SMILESCOc1cccc(OC)c1OCCNC1CC1
InChIInChI=1S/C13H19NO3/c1-15-11-4-3-5-12(16-2)13(11)17-9-8-14-10-6-7-10/h3-5,10,14H,6-9H2,1-2H3
InChIKeyXAPNRFSQNZZKRH-UHFFFAOYSA-N
XLogP1.83
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,6-dimethoxyphenoxy)ethyl]oxan-4-amine
CID 63097957
N-[3-(2,6-dimethoxyphenoxy)-2-methylpropyl]cyclopropanamine
CID 62450901
N-[2-(2,6-difluorophenoxy)ethyl]cyclopropanamine
CID 81268990
N-[[2-(2-fluoroethoxy)-3-methoxyphenyl]methyl]cyclopropanamine
CID 80698601
N-[2-(2-ethoxyphenoxy)ethyl]cyclopropanamine;hydrochloride
CID 117068187
4-[2-(2,6-dimethylphenoxy)ethylamino]cyclohexan-1-ol
CID 57393382
N-[(2,3-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 17295654
N-[2-(2-ethylphenoxy)ethyl]cyclopropanamine
CID 43364345
3-(2,6-dimethoxyphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62571933
N-[2-(2,6-dibromophenoxy)ethyl]cyclopentanamine
CID 62599325
N-[2-(2,6-dimethoxyphenoxy)ethyl]-3-methoxypropan-1-amine
CID 62572083
N-[[3-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine
CID 65365555

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethoxyphenoxy)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(2,6-dimethoxyphenoxy)ethyl]cyclopropanamine (CID 29015300) is N-[2-(2,6-dimethoxyphenoxy)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(2,6-dimethoxyphenoxy)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(2,6-dimethoxyphenoxy)ethyl]cyclopropanamine is COc1cccc(OC)c1OCCNC1CC1.
What is the InChIKey of N-[2-(2,6-dimethoxyphenoxy)ethyl]cyclopropanamine?
The InChIKey is XAPNRFSQNZZKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-15-11-4-3-5-12(16-2)13(11)17-9-8-14-10-6-7-10/h3-5,10,14H,6-9H2,1-2H3.
What are the key properties of N-[2-(2,6-dimethoxyphenoxy)ethyl]cyclopropanamine?
N-[2-(2,6-dimethoxyphenoxy)ethyl]cyclopropanamine has a molecular weight of 237.30 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethoxyphenoxy)ethyl]cyclopropanamine is sourced from PubChem (CID 29015300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).