N-[2-(3-phenoxyphenoxy)ethyl]cyclopropanamine

C17H19NO2 — CID 62597379

IUPACN-[2-(3-phenoxyphenoxy)ethyl]cyclopropanamine
SMILESc1ccc(Oc2cccc(OCCNC3CC3)c2)cc1
InChIInChI=1S/C17H19NO2/c1-2-5-15(6-3-1)20-17-8-4-7-16(13-17)19-12-11-18-14-9-10-14/h1-8,13-14,18H,9-12H2
InChIKeyOWGQCJNKFLHZCF-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.61
Rot. Bonds7

About N-[2-(3-phenoxyphenoxy)ethyl]cyclopropanamine

N-[2-(3-phenoxyphenoxy)ethyl]cyclopropanamine (PubChem CID 62597379) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-[2-(3-phenoxyphenoxy)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3-phenoxyphenoxy)ethyl]cyclopropanamine
PubChem CID62597379
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC NameN-[2-(3-phenoxyphenoxy)ethyl]cyclopropanamine
SMILESc1ccc(Oc2cccc(OCCNC3CC3)c2)cc1
InChIInChI=1S/C17H19NO2/c1-2-5-15(6-3-1)20-17-8-4-7-16(13-17)19-12-11-18-14-9-10-14/h1-8,13-14,18H,9-12H2
InChIKeyOWGQCJNKFLHZCF-UHFFFAOYSA-N
XLogP3.61
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.61
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-(3-fluorophenoxy)ethyl]cyclopropanamine
CID 29015732
N-[2-(3-ethoxyphenoxy)ethyl]-4-methylcyclohexan-1-amine
CID 62584366
N-[2-(3-methylphenoxy)ethyl]cyclopentanamine
CID 54798962
N-(3-phenoxypropyl)cyclohexanamine
CID 60683732
N-[2-(3-tert-butylphenoxy)ethyl]-4-methylcyclohexan-1-amine
CID 63517538
3-[2-[(4-methylcyclohexyl)amino]ethoxy]benzoic acid
CID 103233999
4-[2-(3-bromophenoxy)ethylamino]cyclohexane-1-carboxylic acid
CID 60809216
1-(2-bromoethoxy)-3-phenoxybenzene
CID 86227563
N-[3-(3-fluorophenoxy)propyl]cyclopentanamine
CID 62571696
4-tert-butyl-N-(2-phenoxyethyl)cycloheptan-1-amine
CID 65089931
N-[2-(3-phenoxyphenoxy)ethyl]butan-2-amine
CID 63516697
N-[[3-(2-phenylethoxy)phenyl]methyl]cyclopropanamine
CID 39366699

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-phenoxyphenoxy)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(3-phenoxyphenoxy)ethyl]cyclopropanamine (CID 62597379) is N-[2-(3-phenoxyphenoxy)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3-phenoxyphenoxy)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(3-phenoxyphenoxy)ethyl]cyclopropanamine is c1ccc(Oc2cccc(OCCNC3CC3)c2)cc1.
What is the InChIKey of N-[2-(3-phenoxyphenoxy)ethyl]cyclopropanamine?
The InChIKey is OWGQCJNKFLHZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-2-5-15(6-3-1)20-17-8-4-7-16(13-17)19-12-11-18-14-9-10-14/h1-8,13-14,18H,9-12H2.
What are the key properties of N-[2-(3-phenoxyphenoxy)ethyl]cyclopropanamine?
N-[2-(3-phenoxyphenoxy)ethyl]cyclopropanamine has a molecular weight of 269.34 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-phenoxyphenoxy)ethyl]cyclopropanamine is sourced from PubChem (CID 62597379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).