N-[[1-(3-ethoxyphenoxy)cyclopropyl]methyl]cyclopropanamine

C15H21NO2 — CID 114199529

IUPACN-[[1-(3-ethoxyphenoxy)cyclopropyl]methyl]cyclopropanamine
SMILESCCOc1cccc(OC2(CNC3CC3)CC2)c1
InChIInChI=1S/C15H21NO2/c1-2-17-13-4-3-5-14(10-13)18-15(8-9-15)11-16-12-6-7-12/h3-5,10,12,16H,2,6-9,11H2,1H3
InChIKeyPYPYJFMNRHOTOO-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.75
Rot. Bonds7

About N-[[1-(3-ethoxyphenoxy)cyclopropyl]methyl]cyclopropanamine

N-[[1-(3-ethoxyphenoxy)cyclopropyl]methyl]cyclopropanamine (PubChem CID 114199529) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[[1-(3-ethoxyphenoxy)cyclopropyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(3-ethoxyphenoxy)cyclopropyl]methyl]cyclopropanamine
PubChem CID114199529
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-[[1-(3-ethoxyphenoxy)cyclopropyl]methyl]cyclopropanamine
SMILESCCOc1cccc(OC2(CNC3CC3)CC2)c1
InChIInChI=1S/C15H21NO2/c1-2-17-13-4-3-5-14(10-13)18-15(8-9-15)11-16-12-6-7-12/h3-5,10,12,16H,2,6-9,11H2,1H3
InChIKeyPYPYJFMNRHOTOO-UHFFFAOYSA-N
XLogP2.75
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(3-ethylphenoxy)cyclopropyl]methyl]cyclopropanamine
CID 114199408
N-[2-(3-ethoxyphenoxy)ethyl]-4-methylcyclohexan-1-amine
CID 62584366
[1-(3-ethoxyphenoxy)cyclohexyl]methanamine
CID 94689943
3-(3-ethoxyphenoxy)-N-ethylcyclopentan-1-amine
CID 79632753
N-[3-(3-ethoxyphenyl)propyl]cyclopropanamine
CID 79019318
3-(3-ethoxyphenoxy)-N-methylcyclopentan-1-amine
CID 79632551
3-(3-ethoxyphenoxy)-N-ethylcyclohexan-1-amine
CID 79618027
N-[2-(3-ethoxyphenoxy)propyl]cyclohexanamine
CID 62584741
N-[[6-(3-ethoxyphenoxy)pyridazin-3-yl]methyl]cyclopropanamine
CID 62336369
N-[[4-(3-ethoxyphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 81253545
N-[[2-(3-ethoxyphenyl)cyclopentyl]methyl]cyclopropanamine
CID 81032583
methyl 2-(cyclopropylamino)-3-(3-ethoxyphenoxy)propanoate
CID 62336177

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-ethoxyphenoxy)cyclopropyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(3-ethoxyphenoxy)cyclopropyl]methyl]cyclopropanamine (CID 114199529) is N-[[1-(3-ethoxyphenoxy)cyclopropyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(3-ethoxyphenoxy)cyclopropyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(3-ethoxyphenoxy)cyclopropyl]methyl]cyclopropanamine is CCOc1cccc(OC2(CNC3CC3)CC2)c1.
What is the InChIKey of N-[[1-(3-ethoxyphenoxy)cyclopropyl]methyl]cyclopropanamine?
The InChIKey is PYPYJFMNRHOTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-17-13-4-3-5-14(10-13)18-15(8-9-15)11-16-12-6-7-12/h3-5,10,12,16H,2,6-9,11H2,1H3.
What are the key properties of N-[[1-(3-ethoxyphenoxy)cyclopropyl]methyl]cyclopropanamine?
N-[[1-(3-ethoxyphenoxy)cyclopropyl]methyl]cyclopropanamine has a molecular weight of 247.34 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-ethoxyphenoxy)cyclopropyl]methyl]cyclopropanamine is sourced from PubChem (CID 114199529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).